Exact Mass: 264.0898732
Exact Mass Matches: 264.0898732
Found 500 metabolites which its exact mass value is equals to given mass value 264.0898732,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Acetyl-N-formyl-5-methoxykynurenamine
Acetyl-N-formyl-5-methoxykynurenamine (AFMK) results from the oxidative cleavage of the pyrrole ring during melatonin oxidation by myeloperoxidase (MPO), a superoxide anion (O)-dependent reaction. AFMK is also expected to be formed from oxidation catalyzed by the unspecific enzyme indoleamine-2,3-dioxygenase (IDO), found in a variety of cell types including monocyte/macrophage lineages. MPO- and IDO-catalyzed melatonin oxidation has the requirement of O in common, a species formed in large amounts in inflammatory conditions. The non-enzymatic formation of AFMK can also be expected by its direct reaction with highly reactive oxygen species, such as hydroxyl radical and singlet oxygen. Thus, we assume that AFMK is a product formed in a route of melatonin metabolism, especially active in inflammation. As AFMK is biologically more active on leukocytes than melatonin, the metabolizing of melatonin to AFMK at inflammatory sites possibly plays a role in immunomodulation. AFMK is found in the CSF of patients with meningitis, and in some samples at a remarkably high concentration, with AFMK found in some patients exceeding the concentration of melatonin normally found in serum. (PMID: 16150112) [HMDB] Acetyl-N-formyl-5-methoxykynurenamine (AFMK) results from the oxidative cleavage of the pyrrole ring during melatonin oxidation by myeloperoxidase (MPO), a superoxide anion (O)-dependent reaction. AFMK is also expected to be formed from oxidation catalyzed by the unspecific enzyme indoleamine-2,3-dioxygenase (IDO), found in a variety of cell types including monocyte/macrophage lineages. MPO- and IDO-catalyzed melatonin oxidation has the requirement of O in common, a species formed in large amounts in inflammatory conditions. The non-enzymatic formation of AFMK can also be expected by its direct reaction with highly reactive oxygen species, such as hydroxyl radical and singlet oxygen. Thus, we assume that AFMK is a product formed in a route of melatonin metabolism, especially active in inflammation. As AFMK is biologically more active on leukocytes than melatonin, the metabolizing of melatonin to AFMK at inflammatory sites possibly plays a role in immunomodulation. AFMK is found in the CSF of patients with meningitis, and in some samples at a remarkably high concentration. AFMK was also found in some patients to exceed the concentration of melatonin normally found in serum (PMID: 16150112).
Phenylacetylglutamine
Phenylacetylglutamine is a product formed from the conjugation of phenylacetate and glutamine. Technically, it is the amino acid acetylation product of phenylacetate (or phenylbutyrate after beta-oxidation). Phenylacetylglutamine is a normal constituent of human urine, but other mammals such as the dog, cat, rat, monkey, sheep, and horse do not excrete this compound. Phenylacetyl-CoA and L-glutamine react to form phenylacetylglutamine and coenzyme A. The enzyme (glutamine N-acetyl transferase) that catalyzes this reaction has been purified from human liver mitochondria and shown to be a polypeptide species distinct from glycine-N-acyltransferase. Phenylacetylglutamine is a major nitrogenous metabolite that accumulates in uremia (PMID: 2791363, 8972626). It has been shown that over 50\\\% of urine phenylacetylglutamine may be derived from kidney conjugation of free plasma phenylacetic acid and/or from the kidneys preferential filtration of conjugated phenylacetic acid (PMID: 6420430). Phenylacetylglutamine is a microbial metabolite found in Christensenellaceae, Lachnospiraceae and Ruminococcaceae (PMID: 26241311). Phenylacetylglutamine is a product formed by the conjugation of phenylacetate and glutamine. Technically it is the amino acid acetylation product of phenylacetate (or phenylbutyrate after beta-oxidation). Phenylacetylglutamine is a normal constituent of human urine, but other mammals including the dog, cat, rat, monkey, sheep and horse do not excrete this compound. Phenylacetyl CoA and glutamine react to form phenylacetyl glutamine and Coenzyme A. The enzyme (Glutamine N-acetyl transferase) that catalyzes this reaction has been purified from human liver mitochondria and shown to be a distinct polypeptide species from glycine-N-acyltransferase. Phenylacetylglutamine is a major nitrogenous metabolite that accumulates in uremia. (PMID: 2791363; PMID: 8972626). It has been shown that over 50\\\% of urine phenylacetylglutamine may be derived from kidney conjugation of free plasma phenylacetic acid and/or from the kidneys preferential filtration of conjugated phenylacetic acid (PMID: 6420430) Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.
Perlolyrine
Alkaloid from Korean ginseng and Japanese soy sauce. Perlolyrine is found in saffron, soy bean, and herbs and spices. Perlolyrine is found in herbs and spices. Perlolyrine is an alkaloid from Korean ginseng and Japanese soy sauc
1'-Acetoxyeugenol acetate
1-Acetoxyeugenol acetate is found in herbs and spices. 1-Acetoxyeugenol acetate is a constituent of Alpinia galanga (greater galangal). Constituent of Alpinia galanga (greater galangal). 1-Acetoxyeugenol acetate is found in herbs and spices.
N(2)-phenylacetyl-L-glutaminate
N(2)-phenylacetyl-L-glutaminate is considered to be practically insoluble (in water) and acidic
Sulfamerazine
Sulfamerazine is only found in individuals that have used or taken this drug.It is a sulfanilamide that is used as an antibacterial agent. [PubChem]Sulfamerazine is a sulfonamide drug that inhibits bacterial synthesis of dihydrofolic acid by competing with para-aminobenzoic acid (PABA) for binding to dihydropteroate synthetase (dihydrofolate synthetase). Sulfamerazine is bacteriostatic in nature. Inhibition of dihydrofolic acid synthesis decreases the synthesis of bacterial nucleotides and DNA. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
2',2'-Difluorodeoxyuridine
2,2-Difluorodeoxyuridine is a metabolite of gemcitabine. Gemcitabine is a nucleoside analog used as chemotherapy. It is marketed as Gemzar by Eli Lilly and Company. (Wikipedia)
gamma-Glutamyl-S-methylcysteine
gamma-Glutamyl-S-methylcysteine is found in garden onion. gamma-Glutamyl-S-methylcysteine is a constituent of many edible vegetable species Constituent of many edible vegetable species. gamma-Glutamyl-S-methylcysteine is found in garden onion, soft-necked garlic, and lima bean.
Ilicifolinoside A
Ilicifolinoside A is found in alcoholic beverages. Ilicifolinoside A is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). Ilicifolinoside A is found in alcoholic beverages and fruits.
Cinnamyl cinnamate
Cinnamyl cinnamate occurs in storax and Peruvian balsam. Cinnamyl cinnamate is a flavouring agent. Occurs in storax and Peruvian balsam. Flavouring agent
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside is found in alcoholic beverages. (Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). (Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-glucoside is found in alcoholic beverages and fruits.
3-Hydroxy-4-butanolide
3-Hydroxy-4-butanolide is found in herbs and spices. 3-Hydroxy-4-butanolide is a constituent of Crocus sativus (saffron) Constituent of Crocus sativus (saffron). 3-Hydroxy-4-butanolide is found in tea and herbs and spices.
Methionyl-Aspartate
Methionyl-Aspartate is a dipeptide composed of methionine and aspartate. 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.
Aspartyl-Methionine
Aspartyl-Methionine is a dipeptide composed of aspartate and methionine. 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.
N-Acetylcystathionine
N-Acetylcystathionine is an amino-acid. It is found in the urine of patients with cystathioninuria which is an autosomal recessive phenotype with abnormal accumulcation of plasma cystathionine, leading to increased urinary excretion (PMID: 1793738) [HMDB] N-Acetylcystathionine is an amino-acid. It is found in the urine of patients with cystathioninuria which is an autosomal recessive phenotype with abnormal accumulcation of plasma cystathionine, leading to increased urinary excretion (PMID: 1793738).
dapsone hydroxylamine
dapsone hydroxylamine is a metabolite of dapsone. Dapsone (diamino-diphenyl sulfone) is a medication most commonly used in combination with rifampicin and clofazimine as multidrug therapy (MDT) for the treatment of Mycobacterium leprae infections. It is also second-line treatment for prophylaxis (prevention) against Pneumocystis pneumonia (PCP) caused by Pneumocystis jirovecii (formerly P. carinii) in HIV patients in whom CD4 counts are below 200/mm. (Wikipedia)
di-Hydroxymelatonin
di-Hydroxymelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
1-[(4R,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Carbocyclic 3-deazaadenosine
C12H16N4O3 (264.12223459999996)
3-(3-Hydroxy-4-methoxynaphthalen-1-yl)oxypropane-1,2-diol
Difluorodeoxyuridine
Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
2,2-Difluoro-n-(2-hydroxyethyl)-3-(2-nitro-1h-imidazol-1-yl)propanamide
Nictindole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
1-[(2R,4S,5S)-5-[Difluoro(hydroxy)methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
3beta-Chlorodehydrocostuslactone
3beta-chlorodehydrocostuslactone belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. 3beta-chlorodehydrocostuslactone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3beta-chlorodehydrocostuslactone can be found in sweet bay, which makes 3beta-chlorodehydrocostuslactone a potential biomarker for the consumption of this food product.
Kinsenoside
(3R)-5-Oxotetrahydro-3-furanyl beta-D-glucopyranoside is a glycoside. Kinsenoside is a natural product found in Anoectochilus formosanus, Anoectochilus koshunensis, and Crocus sativus with data available. Kinsenoside is a main active component isolated from plants of the genus Anoectochilus, and exhibits many biological activities and pharmacological effects[1]. Kinsenoside rescues the nucleus pulposus cells (NPCs) viability under oxidative stress and protects against apoptosis, senescence and mitochondrial dysfunction in a Nrf2-dependent way[2]. Kinsenoside is a main active component isolated from plants of the genus Anoectochilus, and exhibits many biological activities and pharmacological effects[1]. Kinsenoside rescues the nucleus pulposus cells (NPCs) viability under oxidative stress and protects against apoptosis, senescence and mitochondrial dysfunction in a Nrf2-dependent way[2].
Peucedanol
(+)-Peusedanol is a natural product found in Prangos tschimganica, Prangos uloptera, and other organisms with data available. 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy- is a natural product found in Ficus glumosa with data available. (+)-Peusedanol is a coumarin isolated from Peucedanumjaponicum[1].
2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy-
3,3-Methylenebis(4-hydroxy-6-methyl-2H-pyran-2-one)
6-Acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-3-methoxy-2,3-dihydrobenzofuran
(2E)-3-(4-O-acetyl-3-methoxyphenyl)prop-2-en-1-yl acetate|1-acetoxy-4-(3-acetoxy-trans-propenyl)-2-methoxy-benzene|1-Acetoxy-4-(3-acetoxy-trans-propenyl)-2-methoxy-benzol|trans-coniferyl alcohol diacetate
methyl (Z)-6-(2,5-dihydroxyphenyl)-4-methyl-6-oxo-4-hexenoate|orirubenone F
5-Acetyl-2-(1-hydroxy-1-methylethyl)-4-methoxybenzofuran-6-ol
methyl (S)-2-(6-acetyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl)propanoate|Methyl-2-(6-acetyl-5-hydroxy-2,3-dihydrobenzofuran-2-yl)propanoate
3-Hydroxy-7-<4-hydroxy-isopentyloxy>-coumarin|7-O-(4-Hydroxy-3-methylbutyl)- 3,7-Dihydroxy-2H-1-benzopyran-2-one
7-(3-Methyl-2,3-dihydroxybutyloxy)-2H-1-benzopyran-2-one
(R)-4-O-beta-D-glucopyranosyl-4-hydroxy-2-pentanone
2t,4t-Undecadien-8,10-diinsaeure-4,6-heptadiinylester|4,6-Heptadiynyl ester-(2E,4E)-2,4-Undecadiene-8,10-diynoic acid
O1-((Xi)-1-methyl-butyl)-beta-D-glucopyranuronic acid|O1-((Xi)-1-Methyl-butyl)-beta-D-glucopyranuronsaeure
8-hydroxy-7-(4-hydroxy-2-methyl-butoxy)-chromen-2-one|Armin
1-(5-methoxy-4-oxo-prenyl)-resacetophenone|1-<5-methoxy-4-oxo-prenyl>-resacetophenone
(E,E)-5-(4-methoxy-3-methyl-2-oxo-2H-pyran-6-yl)-3-methylhexa-2,4-dienoic acid|infectopyrone
7-hydroxy-8-(4-hydroxy-3-methylbutoxy)-2H-chromen-2-one|armenin
7-hydroxy-8-(2-hydroxy-2-isopropoxy-ethyl)-chromen-2-one|Calcicolin
(5R*, 6R*, 7R*, 8R*, 3Z)-6, 7-dihydroxy-5-methoxy-8-phenyl-5,6,7,8-tetrahydrooxacin-2-one|(5R*,6R*,7R*,8R*,3Z)-6,7-dihydroxy-5-methoxy-8-phenyl-5,6,7,8-tetrahydrooxacin-2-one|gonioheptenolactone
4-Oxo-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-3-carbaldehyde
2-(4-methoxyphenyl)-5-((E)-1-propenyl)benzofuran|2-(4-methoxyphenyl)-5-(E)-propenylbenzofuran|rataniaphenol I
13-Methyl-13,14,15,16-tetrahydro-12H-cyclopenta[a]phenanthrene-11,17-dione
methyl 7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromene-8-carboxylate
(E)-4-[3-methyl-5-(prop-1-enyl)benzo[b]furan-2-yl]phenol|4-[3-methyl-5-((E)-1-propenyl)-2-benzofuranyl]phenol|4-{3-methyl-5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol|Eupomatenoid 6|eupomatenoid-6|rataniaphenol II
3-hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl)acetate
Acetic acid 2-oxo-5,6-dimethoxy-2H-1-benzopyran-7-yl ester
6,7-Dimethoxybenzofuran-5-propionic acid methyl ester
6-(beta-hydroxypropionyl)-1,3-dimethyllumazine|6-beta-hydroxypropionyl-1,3-dimethyllumazine
2,5-dihydroxy-3,8-dimethoxy-7-methylnaphtho-1,4-quinone|Nepenthone E
2-Propenoic acid, 3-[3,4-bis(acetyloxy)phenyl]-, (E)-
5-hydroxymethyl-7-methoxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid|5-Methanol-7-methoxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid
5,7a-dihydro-4-methoxy-5-(3-phenyl-2-propenylidene) benzofuran
Tanshinlactone
Tanshinlactone is a natural product found in Salvia miltiorrhiza with data available.
Dehydrojuncusol
Dehydrojuncusol is a natural product found in Juncus effusus, Juncus acutus, and Juncus roemerianus with data available.
sulfamerazine
D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1016
2,2-Difluorodeoxyuridine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2649 2′,2′-Difluorodeoxyuridine (dFdU) is the main metabolite of Gemcitabine (HY-17026). 2′,2′-Difluorodeoxyuridine causes a concentration- and schedule- dependent radiosensitising effect in vitro[1].
4,7,8-trimethoxy-3,5-dimethylchromen-2-one
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-methylpyran-2-one
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one
3,7,8-trihydroxy-3-methyl-1,4-dihydropyrano[4,3-b]chromen-10-one
Phenylacetylglutamine
Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-methylpyran-2-one
Tricarboxyl-A4EO2
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based: Match]
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]
3-(2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000846888]
4,7,8-trimethoxy-3,5-dimethylchromen-2-one [IIN-based on: CCMSLIB00000845769]
Phenyl 1-hydroxy-2-naphthoate
CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5147; ORIGINAL_PRECURSOR_SCAN_NO 5145 DATASET 20200303_ENTACT_RP_MIX505; CONFIDENCE standard compound; INTERNAL_ID 1074; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5844; ORIGINAL_PRECURSOR_SCAN_NO 5842 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5844; ORIGINAL_PRECURSOR_SCAN_NO 5842 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5882; ORIGINAL_PRECURSOR_SCAN_NO 5880 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5858; ORIGINAL_PRECURSOR_SCAN_NO 5855 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5940; ORIGINAL_PRECURSOR_SCAN_NO 5938 CONFIDENCE standard compound; INTERNAL_ID 1074; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5272
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-6-methylpyran-2-one_major
Met-asp
A dipeptide formed from L-methionine and L-aspartic acid residues.
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside
Butanedioic acid,2-oxo-3-phenyl-, 1,4-diethyl ester
3-(THIAZOL-2-YLCARBAMOYL)-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
N-Benzyloxycarbonyl-2-oxoimidazoline-4-carboxylic acid
4-BORONO-2-(CYCLOHEXYLOXY)BENZOIC ACID
C13H17BO5 (264.11689820000004)
2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
2-Naphthalenecarboxylicacid, 3-hydroxy-, phenyl ester
Methyl 4-amino-3-(4-methoxyphenyl)isothiazole-5-carboxylate
4-CHLORO-TRANS-BETA-STYRYLBORONIC ACID PINACOL ESTER
tert-butyl 3-(4-methoxyphenyl)-2,3-dioxopropanoate
Ethyl 2,3-dihydro-5,6-dimethoxy-1-oxo-1H-indene-2-carboxylic ester
thialbarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
(2S,4S)-1-CBZ-4-AMINO PYRROLIDINE-2-CARBOXYLIC ACID
5-(3,4-DIMETHOXYPHENYL)-2H-TETRAZOL-2-YL]ACETIC ACID
2-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)ISOINDOLINE-1,3-DIONE
C14H8N4O2 (264.06472279999997)
4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one
6-Methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
6-Methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
3-AMINO-3-[5-(2-CHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
3-AMINO-3-[5-(3-CHLOROPHENYL)-FURAN-2-YL]-PROPIONIC ACID AMIDE
4-(pyridin-2-ylmethylamino)quinazoline-6-carbaldehyde
4-(pyridin-3-ylmethylamino)quinazoline-6-carbaldehyde
2,4,6-triethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
(S)-1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid
ETHYL 1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
TERT-BUTYL 6-AMINO-1,4-THIAZEPANE-4-CARBOXYLATE 1,1-DIOXIDE
Methyl 2-amino-4-(3-methoxyphenyl)thiazole-5-carboxylate
METHYL 2-AMINO-4-(4-METHOXYPHENYL)THIAZOLE-5-CARBOXYLATE
(5-FLUORO-2-((4-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
(5-FLUORO-2-((2-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
(5-FLUORO-2-((3-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID
6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
3-(PIPERIDIN-4-YL)ISOQUINOLIN-1(2H)-ONE HYDROCHLORIDE
Ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)acetate
C13H13FN2O3 (264.09101599999997)
2-Chloro-3-cyanopyridine-4-boronic acid pinacol ester
Glycine, N-[2-[(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl ), disodium salt
5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
4-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)PIPERIDINE HYDROCHLORIDE
(3-NITRO-5-(PYRROLIDINE-1-CARBONYL)PHENYL)BORONIC ACID
2-(4-CHLOROPHENYL)-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1-Naphthalenecarboxylic acid, 4-hydroxyphenyl ester
METHYL 2,3-ANHYDRO-4,6-O-BENZYLIDENE-α-D-ALLOPYRANOSIDE
5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-furan-2-carboxylic acid
Propanedioic acid,2-(2-phenylhydrazinylidene)-, 1,3-diethyl ester
8-methyl-2-pyridin-4-ylquinoline-4-carboxylic acid
3-Isopropoxy-5-(trifluoromethoxy)phenylboronic acid
C10H12BF3O4 (264.07806980000004)
5-([1,1-BIPHENYL]-4-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
5-CHLORO-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
1,1-Dimethyl(2H8)-4,4-bipyridinium dichloride
C12H6Cl2D8N2 (264.10361582400003)
4-Phenylmethoxycarbonyl-2-piperazinecarboxylic acid hydrochloride
1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid
N-(PIPERIDIN-4-YL)QUINOXALIN-2-AMINE HYDROCHLORIDE
7-FLUORO-5-((TETRAHYDRO-2H-PYRAN-4-YL)OXY)QUINAZOLIN-4(3H)-ONE
C13H13FN2O3 (264.09101599999997)
Sulfaperin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(R)-3-((BENZYLOXY)CARBONYL)-2-OXOIMIDAZOLIDINE-4-CARBOXYLIC ACID
2-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]BUTANOIC ACID
1,3-Dithiane-2,2-diylbis(trimethylsilane)
C10H24S2Si2 (264.08579039999995)
5-[amino(methyl)amino]-4-chloro-2-(4-methylphenyl)pyridazin-3-one
Methyl 2-hydroxy-5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxyla te
(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid
4-(2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YL)-PHENOL
2-PYRIDIN-2-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
methyl 3-(2,4-diaminophenoxy)thiophene-2-carboxylate
Fluoro-N,N,N,N-tetramethylformamidinium hexafluorophosphate
2-(5-(TRIFLUOROMETHYL)-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
1-[4-(3-amino-4-nitrophenyl)piperazin-1-yl]ethanone
C12H16N4O3 (264.12223459999996)
2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide hydrochloride
2-(4-FLUOROPHENYL)-4,5-DIHYDRO-2H-BENZO[G]INDAZOLE
ETHYL 1-(4-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
(2R,3S)-1-CARBOXY-4-PENTYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE POTASSIUM SALT
1-Naphthaleneacetamide,N-(2-aminoethyl)-, hydrochloride (1:1)
TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE
2-(4-HYDROXY-BENZYLIDENE)-MALONIC ACID DIETHYL ESTER
diftalone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
methyl (E)-3-(4-methyl-1,3-thiazol-5-yl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
1-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]ETHAN-1-ONE OXIME
2-(1-(4-CHLOROPHENYL)VINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
8-METHYL-2-PYRIDIN-2-YL-QUINOLINE-4-CARBOXYLIC ACID
(3-PROPOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C10H12BF3O4 (264.07806980000004)
(R)-4-(Benzyloxycarbonyl)piperazine-2-carboxylic acid
diethyl 2-[(pyridin-2-ylamino)methylidene]propanedioate
2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
C10H11F3N2O3 (264.07217319999995)
Iprazochrome
C12H16N4O3 (264.12223459999996)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
Pyridin-3-ylmethyl-(tetrahydro-pyran-4-yl)-amine dihydrochloride
2-[METHYL-2-NITRO-4-(TRIFLUOROMETHYL)ANILINO]ETHAN-1-OL
C10H11F3N2O3 (264.07217319999995)
4(3H)-Quinazolinone, 2-chloro-5-cyclobutyl-7-methoxy-
WARFARIN RELATED COMPOUND A (50 MG) (3-(O-HYDROXYPHENYL)-5-PHENYL-2-CYCLOHEXEN-1-ONE)
(2-HYDROXYIMINO-2-PHENYL-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER
Urea,1-(8-hydroxy-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methyl-2-thio- (6CI)
thiopental sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
a-D-Mannopyranoside, methyl2,3-anhydro-4,6-O-(phenylmethylene)-
(1-(Tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid
C9H12BF3N2O3 (264.08930280000004)
1-(4-CHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
(E)Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate
5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)-5,6-dihydropyrimidin-4(3h)-one hydrochloride
5-(2,5-Dioxotetrahydrofuryl)-3-Methyl-3-Cyclohexene-1,2-Dicarboxylic Anhydride
2-PYRIDIN-4-YL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
2-amino-8-phenyl-7,9-dioxa-1-thia-3-azaspiro[4.5]dec-2-en-4-one
ETHYL 4-(DIETHOXYPHOSPHORYL)-3-METHYLBUT-2-ENOATE
C11H21O5P (264.11265460000004)
Temodox
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
1-(4-FLUOROPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
2-Amino-2-(6-phenyl-3-pyridyl)acetic Acid Hydrochloride
2-Amino-2-[4-(2-pyridyl)phenyl]acetic Acid Hydrochloride
(S)-1-((BENZYLOXY)CARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
Ulodesine
C12H16N4O3 (264.12223459999996)
C471 - Enzyme Inhibitor > C2151 - Purine Nucleoside Phosphorylase Inhibitor
2-(8-Hydroxy-6-methoxy-1-oxo-1H-isochromen-3-yl)propionic acid
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor
2-[(Cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside
Ozagrel hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
(1-Oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate
2-Allyl-1-hydroxy-9,10-anthraquinone
R162 is a potent inhibitor of glutamate dehydrogenase 1 (GDH1/GLUD1), with anti-cancer properties.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholinecarboxamide
ethyl 2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylate
2,6-Diamino-8-propylsulfanylmethyl-3H-quinazoline-4-one
1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide
3,8,9,10-Tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione
Perlolyrine
2-[[(2R)-2-amino-3-(4-hydroxy-3-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid
2-[[(2R)-2-amino-3-(1-hydroxypentan-3-ylsulfanyl)propanoyl]amino]acetic acid
S-(4-hydroxy-3-methylbutan-2-yl)-L-cysteinylglycine
2-Formamido-4-(2-formamidophenyl)-4-oxobutanoic acid
5,6-Difluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
1-[(2R,4S,5S)-5-[Difluoro(hydroxy)methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
[(2R,3S,4S,5R,6R)-5-acetyloxy-3,4,6-trihydroxyoxan-2-yl]methyl acetate
D001697 - Biomedical and Dental Materials > D001672 - Biocompatible Materials D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate
2-Oxo-6-phenyl-4-(4-hydroxyphenyl)-1,2-dihydropyrimidine
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-nitroaniline
5,7-Dimethylspiro[cyclohexane-1,3-pyrimido[5,4-c][1,2,5]oxadiazine]-6,8-dione
C12H16N4O3 (264.12223459999996)
4-(tert-Butoxycarbonyl-hydrazonomethyl)-benzoic acid
2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside
2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide
4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide
1,3-dimethyl-6-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]pyrimidine-2,4(1H,3H)-dione
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
2-(4-Methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazole
1-[(4R,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
(3R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxypentanoic acid
(3S,4R)-4-[(2S,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxypentanoic acid
3,4,5-Trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid
8-(5-Hydroxypentyl)-7-methyllumazine
C12H16N4O3 (264.12223459999996)
(3S)-3,7,8-trihydroxy-3-methyl-1,4-dihydropyrano[4,3-b]chromen-10-one
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
(5E)-4-Amino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one
5-[(4-Hydroxyphenyl)diazenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
1-Acetoxyeugenol acetate
An acetate ester that is eugenol acetate substituted by an acetoxy group at position 1.
rataniaphenol II
A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2, a methyl group at position 3 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
1,3-dimethyl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]pyrimidine-2,4-dione
N(2)-phenylacetyl-L-glutamine
An a N(2)-phenylacetylglutamine having L-configuration.
2,2-Difluoro-2-deoxyuridine
A pyrimidine 2-deoxyribonucleoside that is uridine in which the hydroxy group at position 2 has been replaced by two fluoro substituents. It is a metabolite of the drug gemcitabine.
MN-64
MN-64 is a potent tankyrase 1 inhibitor, with IC50s of 6 nM, 72 nM, 19.1 μM, and 39.4 μM for TNKS1, TNKS2, ARTD1 and ARTD2, respectively.
Pozanicline (dihydrochloride)
Pozanicline dihydrochloride (ABT-089 dihydrochloride) is an orally bioavailable nicotinic acetylcholine receptor (nAChR) agonist with a Ki of 16.7 nM for binding to [3H]cytisine sites[1]. Pozanicline is an α4β2-selective nAChR agonist, which binds to rat brain α4β2 nAChR with a Ki of 17 nM while binding to α7 nAChR is insignificant[2].