Exact Mass: 454.0536094

Exact Mass Matches: 454.0536094

Found 114 metabolites which its exact mass value is equals to given mass value 454.0536094, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cefazolin

(6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03001240000003)


Cefazolin is only found in individuals that have used or taken this drug. It is a semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine. [PubChem]In vitro tests demonstrate that the bactericidal action of cephalosporins results from inhibition of cell wall synthesis. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1045

   

SAICAR

(2S)-2-({5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-4-yl}formamido)butanedioic acid

C13H19N4O12P (454.07370640000005)


SAICAR, also known as succinylaminoimidazolecarboxamide ribotide or phosphoribosylaminoimidazolesuccinocarboxamide, is a substrate for the multifunctional protein ADE2. SAICAR is an intermediate in purine metabolism. SAICAR is converted from 5-aminoimidazole-4-carboxyribonucleotide (CAIR) via phosphoribosylaminoimidazolesuccinocarboxamide synthetase (EC: 6.3.2.6) or SAICAR synthase. This enzyme catalyzes the eighth step in the biosynthesis of purine nucleotides. SAICAR (a ribotide) can lose its phosphate group leading to the appearance of a riboside known as succinylaminoimidazolecarboxamide riboside (SAICAriboside) in cerebrospinal fluid, in urine, and, to a lesser extent, in plasma. This particular riboside (called SAICAr) is characteristic of a heritable deficiency known as adenylosuccinate lyase deficiency (ADSL). On the other hand, the ribotide (SAICAR) is generally harmless and is an essential intermediate in purine metabolism. When present in sufficiently high levels, SAICAR can act as an oncometabolite. An oncometabolite is a compound that promotes tumour growth and survival. As an oncometabolite, high levels of SAICAR stimulate pyruvate kinase isoform M2 and promote cancer cell survival in glucose-limited conditions such as aerobic glycolysis (PMID: 23086999). SAICAR (or (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate) is a substrate for the multifunctional protein ADE2. SAICAR is an intermediate in purine metabolism. (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate is converted from 5-Amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate via phosphoribosylaminoimidazole-succinocarboxamide synthase [EC: 6.3.2.6] or SAICAR synthase. This enzyme catalyses the seventh step out of ten in the biosynthesis of purine nucleotides. The appearance of succinylaminoimidazolecarboxamide riboside (SAICAriboside) and succinyladenosine (S-Ado) in cerebrospinal fluid, urine, and to a lesser extent in plasma is characteristic of a heritable deficiency Adenylosuccinate lyase deficiency. [HMDB]. SAICAR is found in many foods, some of which are sweet potato, black chokeberry, common wheat, and globe artichoke. SAICAR. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3031-95-6 (retrieved 2024-08-20) (CAS RN: 3031-95-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Sitaxentan

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide

C18H15ClN2O6S2 (454.006004)


Sitaxentan is only found in individuals that have used or taken this drug. Sitaxentan is a competitive antagonist of endothelin-1 at the endothelin-A (ET-A) and endothelin-B (ET-B) receptors. Under normal conditions, endothelin-1 binding of ET-A or ET-B receptors causes pulmonary vasoconstriction. By blocking this interaction, Sitaxentan decreases pulmonary vascular resistance. Sitaxentan has a higher affinity for ET-A than ET-B. C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists

   

(6S,7R)-3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

7-{[1-hydroxy-2-(1H-1,2,3,4-tetrazol-1-yl)ethylidene]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulphanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03001240000003)


   

n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide

N-{1-[(4-chlorophenyl)carbamoyl]ethoxy}-3,5-bis(trifluoromethyl)benzene-1-carboximidate

C18H13ClF6N2O3 (454.0518850000001)


   
   
   
   

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-

C23H18O10 (454.0899928)


   
   

2-O-Sulfate-[1,1:3,1-Terphenyl]-2,2,2,4,4,4,6,66-nonol,9CI

2-O-Sulfate-[1,1:3,1-Terphenyl]-2,2,2,4,4,4,6,66-nonol,9CI

C18H14O12S (454.02059640000004)


   

7-O-galloyl-(+)-catechin

7-O-galloyl-(+)-catechin

C23H18O10 (454.0899928)


   

1,4-di-O-galloyl-beta-D-xylopyranose

1,4-di-O-galloyl-beta-D-xylopyranose

C19H18O13 (454.0747378)


   
   

Flavogallonic acid dilactone

Flavogallonic acid dilactone

C21H10O12 (454.017226)


   
   

flavogallonic acid bislactone

flavogallonic acid bislactone

C21H10O12 (454.017226)


   
   

2,4-diacetoxy-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-benzo[b]carbazole-5-carbonitrile|Kinamycin D|Ninamycin D

2,4-diacetoxy-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-benzo[b]carbazole-5-carbonitrile|Kinamycin D|Ninamycin D

C22H18N2O9 (454.10122579999995)


   

CCG-1423

N-[2-[4(4-chlorophenyl)amino]-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl)-benzamide

C18H13ClF6N2O3 (454.0518850000001)


CCG-1423 is an inhibitor of Rho/MRTF/SRF pathway. CCG-1423 shows activities in several cancer cells. CCG-1423 is a promising lead compound for the development of novel pharmacologic tools, and it can be used for the research of cancer and diabetes[1][2][3].

   

Kaempferol tetraacetate

Flavone, 3,4,5,7-tetrahydroxy-, tetraacetate (7CI,8CI); 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)phenyl]-4H-1-benzopyran-4-one

C23H18O10 (454.0899928)


   

Cyanidin 3-arabinoside

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride

C20H19ClO10 (454.0666704)


Cyanidin 3-arabinoside is a member of flavonoids and a glycoside. Cyanidin 3-arabinoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=27214-72-8 (retrieved 2024-09-27) (CAS RN: 27214-72-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Cefazolin

Cefazolin

C14H14N8O4S3 (454.03001240000003)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins A cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1045 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3663

   

Scutellarein tetraacetate

4,5,6,7-Tetrahydroxyflavone tetraacetate

C23H18O10 (454.0899928)


   

7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl acetate

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-

C23H18O10 (454.0899928)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.188 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.193

   

Cys Cys Asp Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]butanedioic acid

C14H22N4O9S2 (454.08281619999997)


   

Cys Asp Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]butanedioic acid

C14H22N4O9S2 (454.08281619999997)


   

Cys Asp Asp Cys

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C14H22N4O9S2 (454.08281619999997)


   

Asp Cys Cys Asp

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C14H22N4O9S2 (454.08281619999997)


   

Asp Cys Asp Cys

(3S)-3-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C14H22N4O9S2 (454.08281619999997)


   

Asp Asp Cys Cys

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C14H22N4O9S2 (454.08281619999997)


   
   

5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole

5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole

C13H19N4O12P (454.07370640000005)


   

Phe-Phe4Cl-OH

(S)-2-(3-(benzyloxy)-4-nitrobenzamido)-3-(4-chlorophenyl)propanoic acid

C23H19ClN2O6 (454.09315840000005)


   

Phe4Cl-Phe-OH

(S)-2-(3-((4-chlorobenzyl)oxy)-4-nitrobenzamido)-3-phenylpropanoic acid

C23H19ClN2O6 (454.09315840000005)


   

Sitaxentan

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide

C18H15ClN2O6S2 (454.006004)


C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists

   
   

[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methanol

[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methanol

C15H11F13O (454.0602272)


   

(R)-(-)-4-FLUOROSTYRENEOXIDE

(R)-(-)-4-FLUOROSTYRENEOXIDE

C26H23FeO2P (454.0784978)


   

1h,1h-perfluorooctyl acrylate

1h,1h-perfluorooctyl acrylate

C11H5F15O2 (454.005001)


   

3-[(4-Methyl-3,5-dinitrophenyl)sulfonyl]-2-(3-nitrophenyl)-1,3-th iazolidine

3-[(4-Methyl-3,5-dinitrophenyl)sulfonyl]-2-(3-nitrophenyl)-1,3-th iazolidine

C16H14N4O8S2 (454.0253044)


   

3-[(4-Methyl-3-nitrophenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1 ,3-thiazolidine

3-[(4-Methyl-3-nitrophenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1 ,3-thiazolidine

C19H22N2O7S2 (454.0868382)


   

Ethyl 7-(benzyloxy)-4-{[(trifluoromethyl)sulfonyl]oxy}-2-naphthoa te

Ethyl 7-(benzyloxy)-4-{[(trifluoromethyl)sulfonyl]oxy}-2-naphthoa te

C21H17F3O6S (454.0697898)


   
   

3,3,5,5-tetrakis(trifluoromethyl)benzophenone

3,3,5,5-tetrakis(trifluoromethyl)benzophenone

C17H6F12O (454.022701)


   

Fenticonazole

1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-1H-imidazole

C24H20Cl2N2OS (454.067333)


G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

   

zinc gluconate

Zinc(II) gluconate

C12H22O14Zn (454.0300962)


A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CB - Zinc COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dietary zinc supplement

   

1H,1H-Perfluorohexyl p-toluenesulfonate

1H,1H-Perfluorohexyl p-toluenesulfonate

C13H9F11O3S (454.00967360000004)


   

Quinolinium,1-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, iodide (1:1)

Quinolinium,1-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, iodide (1:1)

C23H23IN2 (454.0905908)


   

4-Methylumbelliferyl α-L-idopranosiduronic acid 2-sulphate sodium salt

4-Methylumbelliferyl α-L-idopranosiduronic acid 2-sulphate sodium salt

C16H15NaO12S (454.018191)


   

ethyl 4,6-diphenylpyryliumtrifluoromethane-sulfonate-2-carboxylate

ethyl 4,6-diphenylpyryliumtrifluoromethane-sulfonate-2-carboxylate

C21H17F3O6S (454.0697898)


   

1,1-Diethyl-2,2-cyanine iodide

1,1-Diethyl-2,2-cyanine iodide

C23H23IN2 (454.0905908)


   

1,8-divinylperfluorooctane

1,8-divinylperfluorooctane

C12H6F16 (454.0213988)


   

TETRAPHENYLARSONIUM CHLORIDE HYDROCHLORIDE

TETRAPHENYLARSONIUM CHLORIDE HYDROCHLORIDE

C24H21AsCl2 (454.0236186)


   

Thiazolidine, 3-[(4-methyl-3,5-dinitrophenyl)sulfonyl]-2-(4-nitrophenyl)- (9CI)

Thiazolidine, 3-[(4-methyl-3,5-dinitrophenyl)sulfonyl]-2-(4-nitrophenyl)- (9CI)

C16H14N4O8S2 (454.0253044)


   

sodium 3-[[4-[(4-hydroxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate

sodium 3-[[4-[(4-hydroxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate

C22H15N4NaO4S (454.07116700000006)


   

1,1′-Diethyl-4,4′-cyanine iodide

1,1′-Diethyl-4,4′-cyanine iodide

C23H23IN2 (454.0905908)


   

rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(iv) dichloride

rac-dimethylsilylenebis(4,5,6,7-tetrahydro-1-indenyl)zirconium(iv) dichloride

C20H26Cl2SiZr (454.02278160000003)


   
   

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine

C19H22N2O7S2 (454.0868382)


   

2-({[4-Bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid

2-({[4-Bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid

C18H19BrN2O5S (454.0197984)


   

3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03001240000003)


   
   
   

n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide

n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide

C18H13ClF6N2O3 (454.0518850000001)


CCG-1423 is an inhibitor of Rho/MRTF/SRF pathway. CCG-1423 shows activities in several cancer cells. CCG-1423 is a promising lead compound for the development of novel pharmacologic tools, and it can be used for the research of cancer and diabetes[1][2][3].

   

Cefotaxime(1-)

Cefotaxime(1-)

C16H16N5O7S2- (454.0491126)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   
   

(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid

(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid

C13H19N4O12P (454.07370640000005)


   

4-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid

4-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid

C23H22N2O4S2 (454.1020932)


   

(6R,7R)-3-(Acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-3-(Acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C16H16N5O7S2- (454.0491126)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

N-(2-bromophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

N-(2-bromophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

C18H23BrN4O3S (454.06741480000005)


   

3,4,5-Trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

3,4,5-Trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C23H13F3N2O3S (454.0598944000001)


   

2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide

2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide

C19H17F3N4O4S (454.09225580000003)


   

3-Furan-2-yl-acrylic acid 3-bromo-5-[(2-hydroxy-benzoyl)-hydrazonomethyl]-phenyl ester

3-Furan-2-yl-acrylic acid 3-bromo-5-[(2-hydroxy-benzoyl)-hydrazonomethyl]-phenyl ester

C21H15BrN2O5 (454.016428)


   

8-(4-Hydroxy-3-methoxyphenyl)-6-(4-methylphenyl)-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione

8-(4-Hydroxy-3-methoxyphenyl)-6-(4-methylphenyl)-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione

C22H18N2O5S2 (454.0657098)


   

(3aR,4S,9aR,9bS)-N,2-bis(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide

(3aR,4S,9aR,9bS)-N,2-bis(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide

C22H16Cl2N4O3 (454.0599406)


   

7-[(3-Bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione

7-[(3-Bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione

C20H19BrN6O2 (454.0752774)


   

[(3aS,4S,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aS,4S,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C19H20BrFN2O3S (454.03619620000006)


   

[(3aS,4R,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aS,4R,9bS)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C19H20BrFN2O3S (454.03619620000006)


   

[(3aR,4S,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aR,4S,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C19H20BrFN2O3S (454.03619620000006)


   

[(3aR,4R,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aR,4R,9bR)-8-bromo-1-(3-fluorophenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C19H20BrFN2O3S (454.03619620000006)


   

(6R,7S)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7S)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03001240000003)


   

[(E)-4-[3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl]-2-methylbut-2-enyl] hydrogen sulate

[(E)-4-[3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl]-2-methylbut-2-enyl] hydrogen sulate

C20H22O10S (454.0933632)


   

4,5,6,7-Tetrahydroxyflavone tetraacetate

Flavone, 4,5,6,7-tetrahydroxy-, tetraacetate

C23H18O10 (454.0899928)


   
   

SAICAR

SAICAR

C13H19N4O12P (454.07370640000005)


A 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with the amino group of L-aspartic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

hydroxy-2-naphthalenyl-methyl phosphonic acid trisacetoxymethylester

hydroxy-2-naphthalenyl-methyl phosphonic acid trisacetoxymethylester

C20H23O10P (454.10287880000004)


An organic phosphonate that is the trisacetoxymethylester derivative of naphthalene substituted hydroxymethylphosphonic acid. It has been found to inhibit insulin receptor tyrosine kinase activity and insulin stimulated glucose oxidation.

   

Cefotaxime(1-)

Cefotaxime(1-)

C16H16N5O7S2 (454.0491126)


A cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime.

   

ML349

ML349

C23H22N2O4S2 (454.1020932)


ML349 is a potent and specific acyl protein thioesterase 2(APT2)/lysophospholipase 2 (LYPLA2) inhibitor with a Ki of 120 nM. ML349 is also an inhibitor of LYPLA2 with an IC50 of 144 nM[1][2].

   

4-(acetyloxy)-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-2-yl acetate

4-(acetyloxy)-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-2-yl acetate

C22H18N2O9 (454.10122579999995)


   

5,6,7,19,20,21-hexahydroxy-10,16-dioxo-11,15-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylic acid

5,6,7,19,20,21-hexahydroxy-10,16-dioxo-11,15-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylic acid

C21H10O12 (454.017226)


   

(1s,4r,5s,6s,9s,11s,14r,15s,18s,22s)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

(1s,4r,5s,6s,9s,11s,14r,15s,18s,22s)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.03269680000005)


   

(1r,4s,5r,6r,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

(1r,4s,5r,6r,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.03269680000005)


   

7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate

7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate

C23H18O10 (454.0899928)


   

(1r,2r,3r,4s)-1-(acetyloxy)-2,4,9-trihydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-3-yl acetate

(1r,2r,3r,4s)-1-(acetyloxy)-2,4,9-trihydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-3-yl acetate

C22H18N2O9 (454.10122579999995)


   

(3r,4r,5r,6s)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

(3r,4r,5r,6s)-4,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C19H18O13 (454.0747378)


   

1',2,7',8-tetrahydroxy-[1,2'-bixanthene]-9,9'-dione

1',2,7',8-tetrahydroxy-[1,2'-bixanthene]-9,9'-dione

C26H14O8 (454.0688644)


   

5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.03269680000005)


   

methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxotetraphene-10-carboxylate

C24H19ClO7 (454.08192540000005)


   

(6r,7r)-7-{[1-hydroxy-2-(1,2,3,4-tetrazol-1-yl)ethylidene]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6r,7r)-7-{[1-hydroxy-2-(1,2,3,4-tetrazol-1-yl)ethylidene]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H14N8O4S3 (454.03001240000003)


   

(6s,7r)-7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate

(6s,7r)-7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-8-oxo-6,7-dihydro-5h-naphthalen-2-yl 3,4,5-trihydroxybenzoate

C23H18O10 (454.0899928)


   

5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.03269680000005)


   

(1r,4s,5s,7s,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

(1r,4s,5s,7s,9r,11r,14s,15r,18r,22r)-5,22-dihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁷,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,8,12,16-tetrone

C18H18N2O6S3 (454.03269680000005)


   

(1r,2r,3r,4s)-1,3-bis(acetyloxy)-11-(diazyn-1-ium-1-yl)-2,4,10-trihydroxy-2-methyl-5-oxo-1h,3h,4h-benzo[b]fluoren-9-olate

(1r,2r,3r,4s)-1,3-bis(acetyloxy)-11-(diazyn-1-ium-1-yl)-2,4,10-trihydroxy-2-methyl-5-oxo-1h,3h,4h-benzo[b]fluoren-9-olate

C22H18N2O9 (454.10122579999995)


   

(2s)-2-[({5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}(hydroxy)methylidene)amino]butanedioic acid

(2s)-2-[({5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}(hydroxy)methylidene)amino]butanedioic acid

C13H19N4O12P (454.07370640000005)