Exact Mass: 248.0619452

Exact Mass Matches: 248.0619452

Found 220 metabolites which its exact mass value is equals to given mass value 248.0619452, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Pyridoxamine 5'-phosphate

{[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methoxy}phosphonic acid

C8H13N2O5P (248.05620580000001)


Pyridoxamine 5-phosphate belongs to the class of organic compounds known as pyridoxamine 5-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5-position. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. Vitamin B6 is a water-soluble vitamin. The three major forms of vitamin B6 are pyridoxine (also known as pyridoxol), pyridoxal, and pyridoxamine, which are all converted in the liver to pyridoxal 5-phosphate (PLP) a cofactor in many reactions of amino acid metabolism. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. KEIO_ID P113; [MS3] KO009146 KEIO_ID P113; [MS2] KO009143 KEIO_ID P113

   

Dapsone

4-(4-Amino-benzenesulphonyl)-phenylamine

C12H12N2O2S (248.0619452)


A sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae. Its mechanism of action is probably similar to that of the sulfonamides which involves inhibition of folic acid synthesis in susceptible organisms. It is also used with pyrimethamine in the treatment of malaria. (From Martindale, The Extra Pharmacopoeia, 30th ed, p157-8) CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5725; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5706; ORIGINAL_PRECURSOR_SCAN_NO 5704 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5675; ORIGINAL_PRECURSOR_SCAN_NO 5671 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5709; ORIGINAL_PRECURSOR_SCAN_NO 5707 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5694; ORIGINAL_PRECURSOR_SCAN_NO 5692 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5720; ORIGINAL_PRECURSOR_SCAN_NO 5718 J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists CONFIDENCE standard compound; EAWAG_UCHEM_ID 3644 CONFIDENCE standard compound; INTERNAL_ID 1024 KEIO_ID A220; [MS2] KO008829 KEIO_ID A220 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Indolo[2,1-b]quinazoline-6,12-dione

6,12-dihydro-6,12-dioxoindole(2,1-b)quinazoline

C15H8N2O2 (248.0585748)


Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].

   

L-beta-aspartyl-L-aspartic acid

2-[(3-Amino-3-carboxy-1-hydroxypropylidene)amino]butanedioate

C8H12N2O7 (248.0644482)


L-beta-aspartyl-l-aspartic acid is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].

   

Coriandrone E

13-hydroxy-8-methoxy-12-methyl-4,11-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one

C13H12O5 (248.06847019999998)


Constituent of Coriandrum sativum (coriander) (Umbelliferae). Coriandrone E is found in coriander and herbs and spices. Coriandrone E is found in coriander. Coriandrone E is a constituent of Coriandrum sativum (coriander) (Umbelliferae)

   

Aspartyl-Aspartate

2-[(2-Amino-3-carboxy-1-hydroxypropylidene)amino]butanedioate

C8H12N2O7 (248.0644482)


Aspartyl-Aspartate is a dipeptied compoosed of two aspartate residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Enoximone

4-methyl-5-[4-(methylsulfanyl)benzoyl]-2,3-dihydro-1H-imidazol-2-one

C12H12N2O2S (248.0619452)


Enoximone is a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with congestive heart failure. Trials were halted in the U.S., but the drug is used in various countries. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents

   

3,3'-Sulfonyldianiline

3-(3-Aminobenzenesulphonyl)aniline

C12H12N2O2S (248.0619452)


   

6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C13H13ClN2O (248.0716358)


C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].

   

3-(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile

3-(3-(Pyridine-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile

C14H8N4O (248.06980779999998)


NS9283 is a positive positive allosteric modulator of (α4)3(β2)2 nicotinic ACh receptors. NS9283 can be used in a series of neurological conditions such as attention deficit hyperactivity disorder (ADHD), schizophrenia, Parkinson's disease and Alzheimer's disease[1].

   

Nitrefazole

2-methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole

C10H8N4O4 (248.05455279999998)


C471 - Enzyme Inhibitor

   

Garomefrine

N-[3-(2-Amino-1-hydroxyethyl)-4-fluorophenyl]methanesulphonamide

C9H13FN2O3S (248.063088)


   

Chloroethyl nitrosourea

1-[N-(2-chloroethyl)-N-oxohydrazinecarbonyl]pyrrolidine-2-carboxamide

C8H13ClN4O3 (248.0676138)


   

2-(5'-methylthio)pentylmalate

2-hydroxy-2-[5-(methylsulfanyl)pentyl]butanedioate

C10H16O5S (248.0718406)


2-(5-methylthio)pentylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(5-methylthio)pentylmalate can be found in a number of food items such as colorado pinyon, yellow bell pepper, asian pear, and celery stalks, which makes 2-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.

   

3-(5'-methylthio)pentylmalate

2-Hydroxy-3-[5-(methylsulphanyl)pentyl]butanedioic acid

C10H16O5S (248.0718406)


3-(5-methylthio)pentylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-(5-methylthio)pentylmalate can be found in a number of food items such as evening primrose, other bread, sunflower, and broad bean, which makes 3-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.

   

HARMINE HCl

9H-PYRIDO(3,4-B)INDOLE, 7-METHOXY-1-METHYL-, HYDROCHLORIDE (1:1)

C13H12N2O.HCl (248.0716358)


Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].

   

Harmine

9H-PYRIDO(3,4-B)INDOLE, 7-METHOXY-1-METHYL-, HYDROCHLORIDE (1:1)

C13H12N2O.HCl (248.0716358)


Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].

   

(-)-Neuchromenin

(-)-2,3-Dihydrocitromycin

C13H12O5 (248.06847019999998)


   
   
   
   
   

4-Thiazolidinecarboxylic acid

4-Thiazolidinecarboxylic acid

C12H12N2O2S (248.0619452)


   

5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone

5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone

C13H12O5 (248.06847019999998)


   

1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea

1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea

C10H11F3N2S (248.05950019999997)


   
   
   
   

Naphtho[2,3-c]furan-1,4-dione, 3,3a,9,9a-tetrahydro-6-hydroxy-7-methoxy-

Naphtho[2,3-c]furan-1,4-dione, 3,3a,9,9a-tetrahydro-6-hydroxy-7-methoxy-

C13H12O5 (248.06847019999998)


   
   
   
   

6-Ethyl-2,5,7-trihydroxy-3-methyl-1,4-naphthoquinone

6-Ethyl-2,5,7-trihydroxy-3-methyl-1,4-naphthoquinone

C13H12O5 (248.06847019999998)


   

2,3-Didehydro,Me ether-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid

2,3-Didehydro,Me ether-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid

C13H12O5 (248.06847019999998)


   

2-Naphthalenecarboxylic acid, 5-hydroxy-4,6-dimethoxy-

2-Naphthalenecarboxylic acid, 5-hydroxy-4,6-dimethoxy-

C13H12O5 (248.06847019999998)


   

Couropitin A|Couroupitin A|Couroupitine A|indolo[1,2-h][1,7]naphthyridine-6,12-dione

Couropitin A|Couroupitin A|Couroupitine A|indolo[1,2-h][1,7]naphthyridine-6,12-dione

C15H8N2O2 (248.0585748)


   
   

2-Naphthalenecarboxylic acid, 6-hydroxy-5,7-dimethoxy-

2-Naphthalenecarboxylic acid, 6-hydroxy-5,7-dimethoxy-

C13H12O5 (248.06847019999998)


   
   

5-hydroxy-2,7-dimethoxy-8-methylnaphthoquinone

5-hydroxy-2,7-dimethoxy-8-methylnaphthoquinone

C13H12O5 (248.06847019999998)


   

5-hydroxy-3,6-dimethoxy-2-methylnaphthalene-1,4-dione

5-hydroxy-3,6-dimethoxy-2-methylnaphthalene-1,4-dione

C13H12O5 (248.06847019999998)


   

2-Methoxy-3,4-dihydroxy-1,2,3,4-tetrahydrodibenzofuran-1-one

2-Methoxy-3,4-dihydroxy-1,2,3,4-tetrahydrodibenzofuran-1-one

C13H12O5 (248.06847019999998)


   

lawsonaphthoate A|methyl 1,6-dihydroxy-4-methoxynaphthalene-2-carboxylate

lawsonaphthoate A|methyl 1,6-dihydroxy-4-methoxynaphthalene-2-carboxylate

C13H12O5 (248.06847019999998)


   

2-Methyl-3,5-dimethoxy-6-hydroxy-1,4-naphthoquinone

2-Methyl-3,5-dimethoxy-6-hydroxy-1,4-naphthoquinone

C13H12O5 (248.06847019999998)


   

Epoxide,Ac,Me ester-(Z,Z)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid|methyl 2(Z)-10-acetoxy-8,9-epoxydecen-4,6-diynoate

Epoxide,Ac,Me ester-(Z,Z)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid|methyl 2(Z)-10-acetoxy-8,9-epoxydecen-4,6-diynoate

C13H12O5 (248.06847019999998)


   

2-Naphthalenecarboxylic acid, 6-hydroxy-4,5-dimethoxy-

2-Naphthalenecarboxylic acid, 6-hydroxy-4,5-dimethoxy-

C13H12O5 (248.06847019999998)


   

5-acetonyl-7-hydroxy-2-hydroxymethylchromone

5-acetonyl-7-hydroxy-2-hydroxymethylchromone

C13H12O5 (248.06847019999998)


   

Indigoidine

Indigoidine

C10H8N4O4 (248.05455279999998)


A member of the class of pyridone that is a dimeric blue pigment biosynthesised from L-glutamine.

   

6-acetyl-7-hydroxy-2-isopropylidene-benzo[1,4]dioxin-3-one

6-acetyl-7-hydroxy-2-isopropylidene-benzo[1,4]dioxin-3-one

C13H12O5 (248.06847019999998)


   
   
   

Selisistat

6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C13H13ClN2O (248.0716358)


C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].

   

2-(1H-indol-3-yl)thiazolidine-4-carboxylic acid

2-(1H-indol-3-yl)thiazolidine-4-carboxylic acid

C12H12N2O2S (248.0619452)


   
   

3-carboxy-8-(methylsulfanyl)-2-oxooctanoate

3-carboxy-8-(methylsulfanyl)-2-oxooctanoate

C10H16O5S (248.0718406)


   

Asp-Asp

(2S)-2-[[(3S)-3-amino-4-hydroxy-4-oxo-butanoyl]amino]butanedioic acid

C8H12N2O7 (248.0644482)


A dipeptide formed from two L-aspartic acid units. Beta-Aspartylaspartic acid is an aspartic acid derivative. β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].

   

HARMINE HCl

9H-PYRIDO(3,4-B)INDOLE, 7-METHOXY-1-METHYL-, HYDROCHLORIDE (1:1)

C13H13ClN2O (248.0716358)


Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].

   

4Y6E3F2U66

6,12-dihydro-6,12-dioxoindole(2,1-b)quinazoline

C15H8N2O2 (248.0585748)


Tryptanthrine is an organonitrogen heterocyclic compound, an organic heterotetracyclic compound and an alkaloid antibiotic. Indolo[2,1-b]quinazoline-6,12-dione is a natural product found in Isatis tinctoria, Cissus discolor, and other organisms with data available. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].

   

TRYPTANTHRINE

NCGC00160337-01!TRYPTANTHRINE

C15H8N2O2 (248.0585748)


   

3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid

NCGC00169277-02!3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid

C13H12O5 (248.06847019999998)


   

3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid

3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid

C13H12O5 (248.06847019999998)


   

dapsone

4,4-Diaminodiphenylsulfone

C12H12N2O2S (248.0619452)


J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3,3-Sulfonyldianiline

3,3-Sulphonyldianiline

C12H12N2O2S (248.0619452)


CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5699; ORIGINAL_PRECURSOR_SCAN_NO 5698 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5698; ORIGINAL_PRECURSOR_SCAN_NO 5694 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5724; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5730 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5745; ORIGINAL_PRECURSOR_SCAN_NO 5744 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5735; ORIGINAL_PRECURSOR_SCAN_NO 5733

   

3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid_major

3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid_major

C13H12O5 (248.06847019999998)


   

Propanoic acid, 2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]-

Propanoic acid, 2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]-

C13H12O5 (248.06847019999998)


   
   

Enoximone

Enoximone

C12H12N2O2S (248.0619452)


C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents

   

EX-527

6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C13H13ClN2O (248.0716358)


Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].

   

b-Asp-Asp

L-beta-aspartyl-L-aspartic acid

C8H12N2O7 (248.0644482)


   

EPIT

ethyl[4-(trifluoromethyl)phenyl] carbamimidothioate

C10H11F3N2S (248.05950019999997)


   

Coriandrone E

13-hydroxy-8-methoxy-12-methyl-4,11-dioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),2,5,7-tetraen-10-one

C13H12O5 (248.06847019999998)


   

FA 13:7;O3

methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate

C13H12O5 (248.06847019999998)


   

Di-o-tolylchlorophosphine

Di-o-tolylchlorophosphine

C14H14ClP (248.0521604)


   

Benzenesulfonamide, 2-amino-N-phenyl-

Benzenesulfonamide, 2-amino-N-phenyl-

C12H12N2O2S (248.0619452)


   

9-Methyl-11-thiabenzo[b]fluorene

9-Methyl-11-thiabenzo[b]fluorene

C17H12S (248.0659672)


   

5-METHYL-1-(4-NITROPHENYL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID

5-METHYL-1-(4-NITROPHENYL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID

C10H8N4O4 (248.05455279999998)


   

4-[5-(Trifluoromethyl)pyrid-2-yl]benzonitrile

4-[5-(Trifluoromethyl)pyrid-2-yl]benzonitrile

C13H7F3N2 (248.0561298)


   
   
   

6-Hydroxy-4,5-dimethoxy-2-naphthoic acid

6-Hydroxy-4,5-dimethoxy-2-naphthoic acid

C13H12O5 (248.06847019999998)


   

4-Hydroxy-6,7-dimethoxy-2-naphthoic acid

4-Hydroxy-6,7-dimethoxy-2-naphthoic acid

C13H12O5 (248.06847019999998)


   

4-Hydroxy-5,8-dimethoxy-2-naphthoic acid

4-Hydroxy-5,8-dimethoxy-2-naphthoic acid

C13H12O5 (248.06847019999998)


   

4-Hydroxy-7,8-dimethoxy-2-naphthoic acid

4-Hydroxy-7,8-dimethoxy-2-naphthoic acid

C13H12O5 (248.06847019999998)


   

Sulfabenz

Sulfabenz

C12H12N2O2S (248.0619452)


C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-THIAZOLECARBOXYLICACID,4-(4-AMINOPHENYL)-,ETHYLESTER

2-THIAZOLECARBOXYLICACID,4-(4-AMINOPHENYL)-,ETHYLESTER

C12H12N2O2S (248.0619452)


   

Ethyl 4-methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxylate

Ethyl 4-methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxylate

C12H12N2O2S (248.0619452)


   

Bis(4-methylphenyl)phosphinous chloride

Bis(4-methylphenyl)phosphinous chloride

C14H14ClP (248.0521604)


   
   

4-Hydroxy-5,6-dimethoxy-2-naphthoic acid

4-Hydroxy-5,6-dimethoxy-2-naphthoic acid

C13H12O5 (248.06847019999998)


   

4-AMINO-1,1-BIPHENYL-4-SULFONAMIDE

4-AMINO-1,1-BIPHENYL-4-SULFONAMIDE

C12H12N2O2S (248.0619452)


   

2-(3,5-DIFLUORO-[1,1-BIPHENYL]-4-YL)ACETIC ACID

2-(3,5-DIFLUORO-[1,1-BIPHENYL]-4-YL)ACETIC ACID

C14H10F2O2 (248.06488240000002)


   
   
   

4-Hydroxy-5,7-dimethoxy-2-naphthoic acid

4-Hydroxy-5,7-dimethoxy-2-naphthoic acid

C13H12O5 (248.06847019999998)


   

Methyl 4,5-dihydroxy-7-methoxy-2-naphthoate

Methyl 4,5-dihydroxy-7-methoxy-2-naphthoate

C13H12O5 (248.06847019999998)


   

Methyl 4,8-dihydroxy-5-methoxy-2-naphthoate

Methyl 4,8-dihydroxy-5-methoxy-2-naphthoate

C13H12O5 (248.06847019999998)


   

5-Hydroxy-4,6-dimethoxy-2-naphthoic acid

5-Hydroxy-4,6-dimethoxy-2-naphthoic acid

C13H12O5 (248.06847019999998)


   

2,4-dihydroxy-3-propyl-1,1,1-trifluoroacetophenone

2,4-dihydroxy-3-propyl-1,1,1-trifluoroacetophenone

C11H11F3O3 (248.06602519999998)


   

2,5,7-TRIMETHOXY-[1,4]NAPHTHOQUINONE

2,5,7-TRIMETHOXY-[1,4]NAPHTHOQUINONE

C13H12O5 (248.06847019999998)


   

3,4-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

3,4-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

C14H10F2O2 (248.06488240000002)


   

4,4-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

4,4-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C14H10F2O2 (248.06488240000002)


   

4,6-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

4,6-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C14H10F2O2 (248.06488240000002)


   
   

methyl 5-(1,3-dioxolan-2-yl)-1-benzofuran-2-carboxylate

methyl 5-(1,3-dioxolan-2-yl)-1-benzofuran-2-carboxylate

C13H12O5 (248.06847019999998)


   

1-PHENYL-5-PROPYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE

1-PHENYL-5-PROPYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE

C13H13ClN2O (248.0716358)


   

ethyl 2-(3-aminophenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(3-aminophenyl)-1,3-thiazole-4-carboxylate

C12H12N2O2S (248.0619452)


   
   

Methyl 2-amino-4-(p-tolyl)thiazole-5-carboxylate

Methyl 2-amino-4-(p-tolyl)thiazole-5-carboxylate

C12H12N2O2S (248.0619452)


   

ethyl 4-amino-3-phenylisothiazole-5-carboxylate

ethyl 4-amino-3-phenylisothiazole-5-carboxylate

C12H12N2O2S (248.0619452)


   

5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C12H12N2O2S (248.0619452)


   

6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine

6-(4-chloro-3,5-dimethylphenoxy)pyridin-3-amine

C13H13ClN2O (248.0716358)


   

4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-phenyl-2-thioxo-

4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-phenyl-2-thioxo-

C12H12N2O2S (248.0619452)


   
   

EX-527 (S-enantiomer)

(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C13H13ClN2O (248.0716358)


(S)-Selisistat ((S)-EX-527) is a potent and selective SIRT1 inhibitor, with an IC50 of 98 nM.

   

4-chloro-N-(1-cyanocyclopentyl)benzamide

4-chloro-N-(1-cyanocyclopentyl)benzamide

C13H13ClN2O (248.0716358)


   

3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER

3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER

C12H12N2O2S (248.0619452)


   

4-(Benzyloxy)-3,5-difluorobenzaldehyde

4-(Benzyloxy)-3,5-difluorobenzaldehyde

C14H10F2O2 (248.06488240000002)


   

2-(4-chlorophenyl)-1,3-diazaspiro[4.4]non-1-en-4-one

2-(4-chlorophenyl)-1,3-diazaspiro[4.4]non-1-en-4-one

C13H13ClN2O (248.0716358)


   

9-Aminoacridine HCl H2O

9-Aminoacridine HCl H2O

C13H13ClN2O (248.0716358)


   

5-(4-METHOXYPHENYL)-2-THIOPHENECARBOHYDRAZIDE

5-(4-METHOXYPHENYL)-2-THIOPHENECARBOHYDRAZIDE

C12H12N2O2S (248.0619452)


   

2-[DIMETHYL(2-THIENYL)SILYL]BENZYL ALCOHOL

2-[DIMETHYL(2-THIENYL)SILYL]BENZYL ALCOHOL

C13H16OSSi (248.0691086)


   

2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C9H18BBrO2 (248.05831380000004)


   

3-Aminobenzenesulfonanilide

3-Aminobenzenesulfonanilide

C12H12N2O2S (248.0619452)


   

3-(3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL)BENZONITRILE

3-(3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL)BENZONITRILE

C14H8N4O (248.06980779999998)


   

N-(4-Methyl-2-pyridyl)benzenesulfonamide

N-(4-Methyl-2-pyridyl)benzenesulfonamide

C12H12N2O2S (248.0619452)


   

3-(4-CHLORO-PHENOXY)-BENZYL-HYDRAZINE

3-(4-CHLORO-PHENOXY)-BENZYL-HYDRAZINE

C13H13ClN2O (248.0716358)


   

Ethyl [3-(trifluoromethyl)phenoxy]acetate

Ethyl [3-(trifluoromethyl)phenoxy]acetate

C11H11F3O3 (248.06602519999998)


   

3,4-diaminobenzophenone monohydrochloride

3,4-diaminobenzophenone monohydrochloride

C13H13ClN2O (248.0716358)


   

4-(2,6-DIFLUORO-BENZYLOXY)-BENZALDEHYDE

4-(2,6-DIFLUORO-BENZYLOXY)-BENZALDEHYDE

C14H10F2O2 (248.06488240000002)


   
   

2-ACETYL-8-CHLORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE

2-ACETYL-8-CHLORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE

C13H13ClN2O (248.0716358)


   

ETHYL 2-AMINO-5-PHENYL-4-THIAZOLECARBOXYLATE

ETHYL 2-AMINO-5-PHENYL-4-THIAZOLECARBOXYLATE

C12H12N2O2S (248.0619452)


   

1,3,3,5-tetramethyl ester

1,3,3,5-tetramethyl ester

C9H12O8 (248.0532152)


   

2-[(5-Amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]-1-phenylethanone

2-[(5-Amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]-1-phenylethanone

C12H12N2O2S (248.0619452)


   

2-(3-(3-Methoxyphenyl)allylidene)malonic acid

2-(3-(3-Methoxyphenyl)allylidene)malonic acid

C13H12O5 (248.06847019999998)


   

Hydroxyguanidine Sulfate

Hydroxyguanidine Sulfate

C2H12N6O6S (248.0539012)


   

5-(2-METHOXY-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID

5-(2-METHOXY-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID

C13H12O5 (248.06847019999998)


   

4-(3,3-Difluoroazetidin-1-yl)piperidine dihydrochloride

4-(3,3-Difluoroazetidin-1-yl)piperidine dihydrochloride

C8H16Cl2F2N2 (248.065854)


   

1-[4-(3-bromopropyl)piperazin-1-yl]ethanone

1-[4-(3-bromopropyl)piperazin-1-yl]ethanone

C9H17BrN2O (248.05241719999998)


   

[2-(PHENYLSULFONYL)-PHENYL]-HYDRAZINE

[2-(PHENYLSULFONYL)-PHENYL]-HYDRAZINE

C12H12N2O2S (248.0619452)


   

ETHYL 2-(2-AMINOPHENYL)THIAZOLE-4-CARBOXYLATE

ETHYL 2-(2-AMINOPHENYL)THIAZOLE-4-CARBOXYLATE

C12H12N2O2S (248.0619452)


   

4-(benzenesulfonyl)benzene-1,2-diamine

4-(benzenesulfonyl)benzene-1,2-diamine

C12H12N2O2S (248.0619452)


   

4-[(morpholinothio)thioxomethyl]morpholine

4-[(morpholinothio)thioxomethyl]morpholine

C9H16N2O2S2 (248.06531560000002)


   

ETHYL 4-METHYL-2-(PYRIDIN-2-YL)THIAZOLE-5-CARBOXYLATE

ETHYL 4-METHYL-2-(PYRIDIN-2-YL)THIAZOLE-5-CARBOXYLATE

C12H12N2O2S (248.0619452)


   

(24R)-,24,25-DIHYDROXY-VITAMIND3*

(24R)-,24,25-DIHYDROXY-VITAMIND3*

C12H12N2O2S (248.0619452)


   

ETHYL 5-AMINO-2-PHENYLTHIAZOLE-4-CARBOXYLATE

ETHYL 5-AMINO-2-PHENYLTHIAZOLE-4-CARBOXYLATE

C12H12N2O2S (248.0619452)


   

diphenyl methylphosphonate

diphenyl methylphosphonate

C13H13O3P (248.0602278)


   
   

2-amino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid

2-amino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid

C7H12N4O4S (248.05792319999998)


   
   

2,3-Difluoro-6-(phenylmethoxy)benzaldehyde

2,3-Difluoro-6-(phenylmethoxy)benzaldehyde

C14H10F2O2 (248.06488240000002)


   

2,3-Difluoro-4-formyl-benzyloxybenzene

2,3-Difluoro-4-formyl-benzyloxybenzene

C14H10F2O2 (248.06488240000002)


   

ethyl 2-amino-4-(4-pyridinyl)-3-thiophenecarboxylate

ethyl 2-amino-4-(4-pyridinyl)-3-thiophenecarboxylate

C12H12N2O2S (248.0619452)


   

1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID

1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID

C12H12N2O2S (248.0619452)


   

4-chloro-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine

4-chloro-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine

C13H13ClN2O (248.0716358)


   

2-(4-AMINO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

2-(4-AMINO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

C12H12N2O2S (248.0619452)


   

7-HYDROXY-4-OXO-8-PROPYL-4H-CHROMENE-2-CARBOXYLIC ACID

7-HYDROXY-4-OXO-8-PROPYL-4H-CHROMENE-2-CARBOXYLIC ACID

C13H12O5 (248.06847019999998)


   

1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride

1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride

C8H19Cl3N2 (248.0613744)


   

ETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE

ETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE

C12H12N2O2S (248.0619452)


   

4-amino-2-chloro-5-((trimethylsilyl)ethynyl)benzonitrile

4-amino-2-chloro-5-((trimethylsilyl)ethynyl)benzonitrile

C12H13ClN2Si (248.05364880000002)


   

4-(4-formylphenoxy)phthalonitrile

4-(4-formylphenoxy)phthalonitrile

C15H8N2O2 (248.0585748)


   

Ethyl 2-amino-4-phenylthiazole-5-carboxylate

Ethyl 2-amino-4-phenylthiazole-5-carboxylate

C12H12N2O2S (248.0619452)


   

(3-ETHYLISOXAZOL-5-YL)METHYL]METHYLAMINE

(3-ETHYLISOXAZOL-5-YL)METHYL]METHYLAMINE

C9H13ClN2O4 (248.0563808)


   

[3-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid

[3-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid

C12H13BO3S (248.06784180000002)


   

[2-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid

[2-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid

C12H13BO3S (248.06784180000002)


   

Methyl 3-[3-(trifluoromethoxy)phenyl]propanoate

Methyl 3-[3-(trifluoromethoxy)phenyl]propanoate

C11H11F3O3 (248.06602519999998)


   

3-methyl-5-nitro-6-pyridin-4-yl-1H-pyrimidine-2,4-dione

3-methyl-5-nitro-6-pyridin-4-yl-1H-pyrimidine-2,4-dione

C10H8N4O4 (248.05455279999998)


   

5-AMINO-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

5-AMINO-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

C10H8N4O4 (248.05455279999998)


   

2-chloro-3-[(2R)-2-methylpiperazin-1-yl]pyrazine,hydrochloride

2-chloro-3-[(2R)-2-methylpiperazin-1-yl]pyrazine,hydrochloride

C9H14Cl2N4 (248.0595464)


   

2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid

2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid

C12H12N2O2S (248.0619452)


   

4-(4,5-DIMETHYLTHIAZOL-2-YLAMINO)BENZOIC ACID

4-(4,5-DIMETHYLTHIAZOL-2-YLAMINO)BENZOIC ACID

C12H12N2O2S (248.0619452)


   

(3,4-DIFLUOROPHENYL)(4-(HYDROXYMETHYL)PHENYL)METHANONE

(3,4-DIFLUOROPHENYL)(4-(HYDROXYMETHYL)PHENYL)METHANONE

C14H10F2O2 (248.06488240000002)


   

METHYL DIPHENYLPHOSPHITE

METHYL DIPHENYLPHOSPHITE

C13H13O3P (248.0602278)


   

[6-(4-chloroanilino)pyridin-3-yl]boronic acid

[6-(4-chloroanilino)pyridin-3-yl]boronic acid

C11H10BClN2O2 (248.05238200000002)


   

bis(4-methylphenyl)chlorophosphine

bis(4-methylphenyl)chlorophosphine

C14H14ClP (248.0521604)


   
   

Methyl 4-acetoxy-2-methylbenzofuran-6-carboxylate

Methyl 4-acetoxy-2-methylbenzofuran-6-carboxylate

C13H12O5 (248.06847019999998)


   

ETHYL 4-METHYL-2-(PYRIDIN-4-YL)THIAZOLE-5-CARBOXYLATE

ETHYL 4-METHYL-2-(PYRIDIN-4-YL)THIAZOLE-5-CARBOXYLATE

C12H12N2O2S (248.0619452)


   

1-(2,4-Dihydroxy-3-(trifluoromethyl)phenyl)-2-methylpropan-1-one

1-(2,4-Dihydroxy-3-(trifluoromethyl)phenyl)-2-methylpropan-1-one

C11H11F3O3 (248.06602519999998)


   

S-Ethyl-N-[4-(trifluoromethyl)phenyl]isothiourea

S-Ethyl-N-[4-(trifluoromethyl)phenyl]isothiourea

C10H11F3N2S (248.05950019999997)


   

N-[3-(2-amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide

N-[3-(2-amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide

C9H13FN2O3S (248.063088)


   

ethyl 7-methoxy-2-oxo-2H-chromene-3-carboxylate

ethyl 7-methoxy-2-oxo-2H-chromene-3-carboxylate

C13H12O5 (248.06847019999998)


   
   

3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C12H12N2O2S (248.0619452)


   

(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C13H13ClN2O (248.0716358)


(R)-Selisistat ((R)-EX-527) is a R-enantiomer of Selisistat. Selisistat (EX-527) is a potent and selective SIRT1 inhibitor with IC50 of 98 nM.

   

methyl (7-methoxy-2-oxo-2H-chromen-4-yl)acetate

methyl (7-methoxy-2-oxo-2H-chromen-4-yl)acetate

C13H12O5 (248.06847019999998)


   

N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester

N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester

C12H9FN2O3 (248.05971759999997)


   

N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamide

N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamide

C12H12N2O2S (248.0619452)


   
   

(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C8H12N2O7 (248.0644482)


   

Tryptanthrin

Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI)

C15H8N2O2 (248.0585748)


Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].

   

2-(5-Methylsulfanylpentyl)-3-oxobutanedioic acid

2-(5-Methylsulfanylpentyl)-3-oxobutanedioic acid

C10H16O5S (248.0718406)


   

2-[(5-Methylthio)pentyl]malate

2-[(5-Methylthio)pentyl]malate

C10H16O5S-2 (248.0718406)


   

3-[(5-Methylthio)pentyl]malate

3-[(5-Methylthio)pentyl]malate

C10H16O5S-2 (248.0718406)


   

3-ethoxy-N-(2-thiazolyl)benzamide

3-ethoxy-N-(2-thiazolyl)benzamide

C12H12N2O2S (248.0619452)


   

4-methoxy-N-(3-methyl-2-thiazolylidene)benzamide

4-methoxy-N-(3-methyl-2-thiazolylidene)benzamide

C12H12N2O2S (248.0619452)


   

N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamide

N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamide

C12H12N2O2S (248.0619452)


   

2-[fluoro(trifluoromethoxy)methyl]-6-methyl-1H-benzimidazole

2-[fluoro(trifluoromethoxy)methyl]-6-methyl-1H-benzimidazole

C10H8F4N2O (248.05727259999998)


   

5-(Dimethylaminomethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione

5-(Dimethylaminomethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione

C12H12N2O2S (248.0619452)


   

Pentane-1,2,3,5-tetracarboxylic acid

Pentane-1,2,3,5-tetracarboxylic acid

C9H12O8 (248.0532152)


   

4-Acetoxy-7-methoxy-3-methylcoumarin

4-Acetoxy-7-methoxy-3-methylcoumarin

C13H12O5 (248.06847019999998)


   

pyridoxamine phosphate

Pyridoxamine 5-phosphate

C8H13N2O5P (248.05620580000001)


A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine.

   

Nitrefazole

Nitrefazole

C10H8N4O4 (248.05455279999998)


C471 - Enzyme Inhibitor

   
   

β-Aspartylaspartic acid

2-[(3-amino-3-carboxypropanoyl)amino]butanedioic acid

C8H12N2O7 (248.0644482)


β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].

   

methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate

methyl 10-acetoxy-8,9-epoxy-2Z-decen-4,6-diynoate

C13H12O5 (248.06847019999998)


   

6-(2,4-dihydroxy-6-methylphenyl)-4-methoxypyran-2-one

6-(2,4-dihydroxy-6-methylphenyl)-4-methoxypyran-2-one

C13H12O5 (248.06847019999998)


   

8,9-dihydroxy-2-methyl-2h,3h,5h-pyrano[3,2-c]chromen-4-one

8,9-dihydroxy-2-methyl-2h,3h,5h-pyrano[3,2-c]chromen-4-one

C13H12O5 (248.06847019999998)


   

(1s,4'r)-4',5-dihydroxy-2,3-dihydrospiro[naphthalene-1,2'-oxolane]-4,5'-dione

(1s,4'r)-4',5-dihydroxy-2,3-dihydrospiro[naphthalene-1,2'-oxolane]-4,5'-dione

C13H12O5 (248.06847019999998)


   

3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1,5,7,10,12,14,16-heptaene-4,9-dione

3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1,5,7,10,12,14,16-heptaene-4,9-dione

C15H8N2O2 (248.0585748)


   

(e)-5,5'-diamino-2,2'-dihydroxy-[3,3'-bipyridinylidene]-6,6'-dione

(e)-5,5'-diamino-2,2'-dihydroxy-[3,3'-bipyridinylidene]-6,6'-dione

C10H8N4O4 (248.05455279999998)


   

4-acetyl-8-hydroxy-6-methoxy-5-methylisochromen-1-one

4-acetyl-8-hydroxy-6-methoxy-5-methylisochromen-1-one

C13H12O5 (248.06847019999998)


   

2-(5,7-dimethoxy-2-oxochromen-8-yl)acetaldehyde

2-(5,7-dimethoxy-2-oxochromen-8-yl)acetaldehyde

C13H12O5 (248.06847019999998)


   

7-hydroxy-2-methoxy-5-(2-oxopropyl)chromen-4-one

7-hydroxy-2-methoxy-5-(2-oxopropyl)chromen-4-one

C13H12O5 (248.06847019999998)


   

6-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid

6-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid

C13H12O5 (248.06847019999998)