Exact Mass: 425.083542

Exact Mass Matches: 425.083542

Found 136 metabolites which its exact mass value is equals to given mass value 425.083542, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Glucosinalbin

({[2-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino}oxy)sulphonic acid

C14H19NO10S2 (425.0450354)


Glucosinalbin is found in american pokeweed. Glucosinalbin is isolated from Brassica seeds.

   

Thiamine pyrophosphate

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

[C12H19N4O7P2S]+ (425.04496639999996)


Thiamine pyrophosphate is the active form of thiamine, and it serves as a cofactor for several enzymes involved primarily in carbohydrate catabolism. The enzymes are important in the biosynthesis of a number of cell constituents, including neurotransmitters, and for the production of reducing equivalents used in oxidant stress defenses and in biosyntheses and for synthesis of pentoses used as nucleic acid precursors. The chemical structure of TPP is that of an aromatic methylaminopyrimidine ring, linked via a methylene bridge to a methylthiazolium ring with a pyrophosphate group attached to a hydroxyethyl side chain. In non-enzymatic model studies it has been demonstrated that the thiazolium ring can catalyse reactions which are similar to those of TPP-dependent enzymes but several orders of magnitude slower. Using infrared and NMR spectrophotometry it has been shown that the dissociation of the proton from C2 of the thiazolium ring is necessary for catalysis; the abstraction of the proton leads to the formation of a carbanion (ylid) with the potential for a nucleophilic attack on the carbonyl group of the substrate. In all TPP-dependent enzymes the abstraction of the proton from the C2 atom is the first step in catalysis, which is followed by a nucleophilic attack of this carbanion on the substrate. Subsequent cleavage of a C-C bond releases the first product with formation of a second carbanion (2-greek small letter alpha-carbanion or enamine). The formation of this 2-greek small letter alpha-carbanion is the second feature of TPP catalysis common to all TPP-dependent enzymes. Depending on the enzyme and the substrate(s), the reaction intermediates and products differ. Methyl-branched fatty acids, as phytanic acid, undergo peroxisomal beta-oxidation in which they are shortened by 1 carbon atom. This process includes four steps: activation, 2-hydroxylation, thiamine pyrophosphate dependent cleavage and aldehyde dehydrogenation. In the third step, 2-hydroxy-3-methylacyl-CoA is cleaved in the peroxisomal matrix by 2-hydroxyphytanoyl-CoA lyase (2-HPCL), which uses thiamine pyrophosphate (TPP) as cofactor. The thiamine pyrophosphate dependence of the third step is unique in peroxisomal mammalian enzymology. Human pathology due to a deficient alpha-oxidation is mostly linked to mutations in the gene coding for the second enzyme of the sequence, phytanoyl-CoA hydroxylase (EC 1.14.11.18). (PMID: 12694175, 11899071, 9924800) [HMDB] Thiamine pyrophosphate (CAS: 154-87-0) is the active form of thiamine, and it serves as a cofactor for several enzymes involved primarily in carbohydrate catabolism. These enzymes are important in the biosynthesis of several cell constituents, including neurotransmitters, and for the production of reducing equivalents used in oxidant stress defences. The enzymes are also important for the synthesis of pentoses used as nucleic acid precursors. The chemical structure of TPP is that of an aromatic methylaminopyrimidine ring, linked via a methylene bridge to a methylthiazolium ring with a pyrophosphate group attached to a hydroxyethyl side chain. In non-enzymatic model studies, it has been demonstrated that the thiazolium ring can catalyze reactions that are similar to those of TPP-dependent enzymes but several orders of magnitude slower. Using infrared and NMR spectrophotometry it has been shown that the dissociation of the proton from C2 of the thiazolium ring is necessary for catalysis; the abstraction of the proton leads to the formation of a carbanion with the potential for a nucleophilic attack on the carbonyl group of the substrate. In all TPP-dependent enzymes, the abstraction of the proton from the C2 atom is the first step in catalysis, which is followed by a nucleophilic attack of this carbanion on the substrate. Subsequent cleavage of a C-C bond releases the first product with the formation of a second carbanion (enamine). This formation is the second feature of TPP catalysis common to all TPP-dependent enzymes. Depending on the enzyme and the substrate(s), the reaction intermediates and products differ. Methyl-branched fatty acids, as phytanic acid, undergo peroxisomal beta-oxidation in which they are shortened by 1 carbon atom. This process includes four steps: activation, 2-hydroxylation, thiamine pyrophosphate-dependent cleavage, and aldehyde dehydrogenation. In the third step, 2-hydroxy-3-methylacyl-CoA is cleaved in the peroxisomal matrix by 2-hydroxyphytanoyl-CoA lyase (2-HPCL), which uses thiamine pyrophosphate (TPP) as a cofactor. The thiamine pyrophosphate dependence of the third step is unique in peroxisomal mammalian enzymology. Human pathology due to a deficient alpha-oxidation is mostly linked to mutations in the gene coding for the second enzyme of the sequence, phytanoyl-CoA hydroxylase (EC 1.14.11.18) (PMID:12694175, 11899071, 9924800). D018977 - Micronutrients > D014815 - Vitamins KEIO_ID C077

   

Hydroxanthommatin

5,12-Dihydroxanthommatin

C20H15N3O8 (425.085911)


   

Ketotifen fumarate

Ketotifen fumarate (Zaditor)

C23H23NO5S (425.12968680000006)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Ketotifen (HC 20-511) fumarate is an orally active second-generation noncompetitive histamine 1 (H1) receptor blocker and mast cell stabilizer. Ketotifen fumarate can block 6-phosphogluconate dehydrogenase (PGD) in vitro. Ketotifen fumarate also has antiviral activity against SARS-CoV-2 and Influenza virus. Ketotifen fumarate can be used to the research of autoimmune encephalomyelitis (EAE) and asthma attack prevention[1][2][3][4].

   

toltrazuril

toltrazuril

C18H14F3N3O4S (425.0657080000001)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

   

((4-(3-(4-Fluoro-alpha-hydroxybenzyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)oxoacetate

[(4-{3-[(4-fluorophenyl)(hydroxy)methyl]-4-hydroxyphenoxy}-3,5-dimethylphenyl)carbamoyl]formic acid

C23H20FNO6 (425.12745920000003)


   

Phosphomethylphosphonic acid adenosyl ester

[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid

C11H17N5O9P2 (425.0501492)


   

2-Sulfamoyl-5-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzoic acid

5-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-2-sulfamoylbenzoic acid

C18H14F3N3O4S (425.0657080000001)


   

Doravirine

3-chloro-5-({1-[(5-hydroxy-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile

C17H11ClF3N5O3 (425.05024820000006)


J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

Tulopafant

N-(3-Benzoylphenyl)-3-(pyridin-3-yl)-1H,3H-pyrrolo[1,2-c][1,3]thiazole-7-carboximidate

C25H19N3O2S (425.11979140000005)


   

[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphoric acid

C11H17N5O9P2 (425.0501492)


   

Cepharanone A N-beta-D-glucoside

Aristololactam II N-beta-D-glucopyranoside

C22H19NO8 (425.11106140000004)


   

6-hydroxyindole-3-carboxylic acid 6-O-(6-malonyl)beta-D-glucopyranoside

6-hydroxyindole-3-carboxylic acid 6-O-(6-malonyl)beta-D-glucopyranoside

C18H19NO11 (425.0958064)


   

2-Hydroxybenzyl glucosinolate

2-Hydroxybenzyl glucosinolate

C14H19NO10S2 (425.0450354)


   

Glucolepigramin

3-Hydorxybenzyl glucosinolate

C14H19NO10S2 (425.0450354)


   
   
   

N-1-{[4-(2,6-Dicyanophenyl)piperazino](methylthio)methylidene}benzene-1-sulfonamide

N-1-{[4-(2,6-Dicyanophenyl)piperazino](methylthio)methylidene}benzene-1-sulfonamide

C20H19N5O2S2 (425.0980114)


   

N-(2-Cyanoethyl)-N-[3,5-bis(trifluoromethyl)phenyl]-N-tetrahydrofuran-2-ylmethylthiourea

N-(2-Cyanoethyl)-N-[3,5-bis(trifluoromethyl)phenyl]-N-tetrahydrofuran-2-ylmethylthiourea

C17H17F6N3OS (425.09964640000004)


   
   

2-(4-hydroxy-3-methoxybenzoyloxymethyl)-4-O-beta-D-glucopyranosyloxy-2(E)-butenenitrile|nigrumin-4-hydroxy-3-methoxybenzoate

2-(4-hydroxy-3-methoxybenzoyloxymethyl)-4-O-beta-D-glucopyranosyloxy-2(E)-butenenitrile|nigrumin-4-hydroxy-3-methoxybenzoate

C19H23NO10 (425.1321898)


   

p-Hydroxybenzylglucosinolate

p-Hydroxybenzylglucosinolate

C14H19NO10S2 (425.0450354)


   

p-Hydroxybenzyl glucosinolate

p-Hydroxybenzyl glucosinolate

C14H19NO10S2 (425.0450354)


Annotation level-1

   

4-Hydroxybenzyl glucosinolate

4-Hydroxybenzyl glucosinolate

C14H19NO10S2 (425.0450354)


   

Sinalbin (p-Hydroxybenzylglucosinolate)

Sinalbin (p-Hydroxybenzylglucosinolate)

C14H19NO10S2 (425.0450354)


   
   

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate

C14H19NO10S2 (425.0450354)


   

Hydroxyxanthommatin

Hydroxyxanthommatin

C20H15N3O8 (425.085911)


   

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate_major

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate_major

C14H19NO10S2 (425.0450354)


   

Cys Cys Asn Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-hydroxypropanoic acid

C13H23N5O7S2 (425.1038848)


   

Cys Cys Ser Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

Cys Asn Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C13H23N5O7S2 (425.1038848)


   

Cys Asn Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

Cys Ser Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

Cys Ser Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

Asn Cys Cys Ser

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C13H23N5O7S2 (425.1038848)


   

Asn Cys Ser Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

Asn Ser Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

Ser Cys Cys Asn

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

Ser Cys Asn Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

Ser Asn Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H23N5O7S2 (425.1038848)


   

6-Bromo-2-(cyclohexylmethyl)-3-(hydroxymethyl)-4-phenyl-1(2H)-iso quinolinone

6-Bromo-2-(cyclohexylmethyl)-3-(hydroxymethyl)-4-phenyl-1(2H)-iso quinolinone

C23H24BrNO2 (425.0990304)


   

2-(Tributylstannyl)-1,3-benzothiazole

2-(Tributylstannyl)-1,3-benzothiazole

C19H31NSSn (425.11990760000003)


   

benzyl (2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-c arboxylate

benzyl (2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-c arboxylate

C21H20BrN3O2 (425.07388000000003)


   
   

1-O-tert-butyl 4-O-ethyl 4-[(4-bromophenyl)methyl]piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-[(4-bromophenyl)methyl]piperidine-1,4-dicarboxylate

C20H28BrNO4 (425.12015880000007)


   

CTS-1027

4-[4-(4-Chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide

C19H20ClNO6S (425.0699810000001)


   

9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C20H19BrF3NO (425.06020200000006)


   

3-pyridylmethyl-triphenyl phosphonium chloride hydrochloride

3-pyridylmethyl-triphenyl phosphonium chloride hydrochloride

C24H22Cl2NP (425.08668420000004)


   

tert-butyl 4-((3-fluoro-5-(trifluoromethyl)phenylsulfonyl)Methyl)piperidine-1-carboxylate

tert-butyl 4-((3-fluoro-5-(trifluoromethyl)phenylsulfonyl)Methyl)piperidine-1-carboxylate

C18H23F4NO4S (425.12838460000006)


   

4-AMINOPHENYL 2,3,4-TRI-O-ACETYL-β-D-GLUCURONIDE METHYL ESTER

4-AMINOPHENYL 2,3,4-TRI-O-ACETYL-β-D-GLUCURONIDE METHYL ESTER

C19H23NO10 (425.1321898)


   

1-(2-nitro-1-imidazolyl)-2-o-tetrahydropyranyl-3-o-toluenesulfonyl-propanediol

1-(2-nitro-1-imidazolyl)-2-o-tetrahydropyranyl-3-o-toluenesulfonyl-propanediol

C18H23N3O7S (425.12566480000004)


   

(9H-FLUOREN-9-YL)METHYL 2,4-DICHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE

(9H-FLUOREN-9-YL)METHYL 2,4-DICHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE

C22H17Cl2N3O2 (425.0697762)


   

1,3-DIBENZYL-1-(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)THIOUREA

1,3-DIBENZYL-1-(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)THIOUREA

C20H16ClN5S2 (425.0535606)


   
   

(3R,4S)-1-(4-chlorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one

(3R,4S)-1-(4-chlorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one

C24H21ClFNO3 (425.1193918)


   

Triphenyl(2-pyridylmethyl)phosphonium chloride hydrochloride

Triphenyl(2-pyridylmethyl)phosphonium chloride hydrochloride

C24H22Cl2NP (425.08668420000004)


   

Phosphomethylphosphonic acid adenosyl ester

Phosphomethylphosphonic acid adenosyl ester

C11H17N5O9P2 (425.0501492)


D004791 - Enzyme Inhibitors

   

Ethylbenzhydramine methyl iodide

Ethylbenzhydramine methyl iodide

C20H28INO (425.1215548)


A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds

   
   

3-(5-((6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy)-2-chlorophenoxy)-5-chlorobenzonitrile

3-(5-((6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy)-2-chlorophenoxy)-5-chlorobenzonitrile

C20H13Cl2N5O2 (425.0446258)


   

[5-Chloro-1H-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid

[5-Chloro-1H-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid

C22H20ClN3O4 (425.1142270000001)


   

N-[4-[(8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]acetamide

N-[4-[(8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]acetamide

C22H23N3O2S2 (425.1231618)


   

2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide

2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide

C20H19N5O2S2 (425.0980114)


   

2-{4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-YL}-N-hydroxy-acetamide

2-{4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-YL}-N-hydroxy-acetamide

C19H20ClNO6S (425.0699810000001)


   

(2e)-N-{4-[(3-Bromophenyl)amino]quinazolin-6-Yl}-4-(Dimethylamino)but-2-Enamide

(2e)-N-{4-[(3-Bromophenyl)amino]quinazolin-6-Yl}-4-(Dimethylamino)but-2-Enamide

C20H20BrN5O (425.08511300000004)


   

5-(3-{3-[3-Hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid

5-(3-{3-[3-Hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid

C22H19NO8 (425.11106140000004)


   

N-(5-Chloro-1,3-Benzodioxol-4-Yl)-N-(3-Morpholin-4-Ylphenyl)pyrimidine-2,4-Diamine

N-(5-Chloro-1,3-Benzodioxol-4-Yl)-N-(3-Morpholin-4-Ylphenyl)pyrimidine-2,4-Diamine

C21H20ClN5O3 (425.1254600000001)


   

(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione

(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione

C21H20BrN3O2 (425.07388000000003)


   

(2S)-2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-N-pyridin-4-ylacetamide

(2S)-2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-N-pyridin-4-ylacetamide

C19H15N5O3S2 (425.061628)


   

Doravirine

Doravirine

C17H11ClF3N5O3 (425.05024820000006)


J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

Paroxetine Mesylate

Paroxetine Mesylate

C20H24FNO6S (425.1308296)


C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

   

Phosphomethylphosphonic acid adenosyl ester

[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid

C11H17N5O9P2 (425.0501492)


D004791 - Enzyme Inhibitors

   

[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

[(2R,3S,5R)-5-[6-(Methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphoric acid

C11H17N5O9P2 (425.0501492)


   
   
   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate

C14H19NO10S2 (425.0450354)


   

11-(3-amino-3-carboxypropanoyl)-1,5-dioxo-12,12a-dihydro-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

11-(3-amino-3-carboxypropanoyl)-1,5-dioxo-12,12a-dihydro-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

C20H15N3O8 (425.085911)


   
   

(glutathion-S-yl)-L-cysteine

(glutathion-S-yl)-L-cysteine

C13H21N4O8S2- (425.0800766)


   

[1-[3,4-Dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxyheptan-3-yl] hydrogen sulfate

[1-[3,4-Dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6,7-pentahydroxyheptan-3-yl] hydrogen sulfate

C12H25O12S2+ (425.078739)


   

ALIMTA

ALIMTA

C20H19N5O6-2 (425.13352740000005)


D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents

   

8-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

8-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

C22H20ClN3O2S (425.09646900000007)


   

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine

C17H19N3O6S2 (425.0715234)


   

1-[1-(4-Methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]ethanone

1-[1-(4-Methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]ethanone

C21H19N3O3S2 (425.0867784)


   

2-Cyclopentylacetic acid [2-[(3-chloro-9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester

2-Cyclopentylacetic acid [2-[(3-chloro-9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester

C23H20ClNO5 (425.1029940000001)


   

1-(4-Butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea

1-(4-Butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea

C19H24ClN3O2S2 (425.0998394)


   

4-chloro-N-[1-{[(3-methylphenyl)amino]carbonyl}-2-(5-nitro-2-furyl)vinyl]benzamide

4-chloro-N-[1-{[(3-methylphenyl)amino]carbonyl}-2-(5-nitro-2-furyl)vinyl]benzamide

C21H16ClN3O5 (425.07784360000005)


   

2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-furanylmethyl)acetamide

2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-furanylmethyl)acetamide

C21H19N3O3S2 (425.0867784)


   

2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester

2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester

C17H19N3O4S3 (425.05376540000003)


   

N-[3-cyano-1-(2-furanylmethyl)-10-methyl-5-oxo-2-dipyrido[3,4-c:1,2-f]pyrimidinylidene]-2-furancarboxamide

N-[3-cyano-1-(2-furanylmethyl)-10-methyl-5-oxo-2-dipyrido[3,4-c:1,2-f]pyrimidinylidene]-2-furancarboxamide

C23H15N5O4 (425.11239900000004)


   

2-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-N-(4-methoxyphenyl)-2-oxoacetamide

2-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-N-(4-methoxyphenyl)-2-oxoacetamide

C18H17Cl2N3O5 (425.05452120000007)


   

1-[2-(Diethylsulfamoyl)-4-nitroanilino]-3-(4-fluorophenyl)urea

1-[2-(Diethylsulfamoyl)-4-nitroanilino]-3-(4-fluorophenyl)urea

C17H20FN5O5S (425.11691220000006)


   

N-(4-methoxyphenyl)-2-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide

N-(4-methoxyphenyl)-2-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide

C23H23NO5S (425.12968680000006)


   

1,3-Dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

1,3-Dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

C21H19N3O7 (425.12229440000004)


   

1-(1,3-Benzodioxol-5-yl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]urea

1-(1,3-Benzodioxol-5-yl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]urea

C21H19N3O5S (425.1045364000001)


   

4-Methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid

4-Methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid

C23H23NO5S (425.12968680000006)


   

2-[4-[2-(4-Chlorophenyl)ethylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

2-[4-[2-(4-Chlorophenyl)ethylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C22H20ClN3O4 (425.1142270000001)


   

Ethyl 4-[2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate

Ethyl 4-[2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylate

C18H23N3O5S2 (425.1079068)


   

N-(3-{N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-phenoxyacetamide

N-(3-{N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-phenoxyacetamide

C21H20ClN5O3 (425.1254600000001)


   

5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid

5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid

C18H19NO11 (425.0958064)


An indolyl carbohydrate that is indole-3-carboxylic acid in which the hydrogen at position 5 is replaced by a 6-O-malonyl-beta-D-glucosyloxy group.

   

2-[[[4-(Diethylsulfamoyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester

2-[[[4-(Diethylsulfamoyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester

C18H23N3O5S2 (425.1079068)


   

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,2,2-trifluoroacetamide

N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,2,2-trifluoroacetamide

C19H18F3N3OS2 (425.0843334)


   

(E)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one

(E)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one

C22H20FN3O3S (425.1209342000001)


   

Diphenyl-[1-(phenylmethyl)-3-imidazo[1,2-a]pyridin-4-iumyl]-sulfanylidenephosphorane

Diphenyl-[1-(phenylmethyl)-3-imidazo[1,2-a]pyridin-4-iumyl]-sulfanylidenephosphorane

C26H22N2PS+ (425.12412420000004)


   

5-carboxymethylaminomethyl-2-O-methyluridine 5-monophosphate

5-carboxymethylaminomethyl-2-O-methyluridine 5-monophosphate

C13H20N3O11P (425.083542)


   

(E)-4-hydroxy-4-oxobut-2-enoate;2-(1-methylpiperidin-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one

(E)-4-hydroxy-4-oxobut-2-enoate;2-(1-methylpiperidin-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one

C23H23NO5S (425.12968680000006)


   

(2S,3R)-8-bromo-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

(2S,3R)-8-bromo-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

C19H28BrN3O3 (425.1313918000001)


   

(1R,5S)-6-(3-chlorophenyl)sulfonyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

(1R,5S)-6-(3-chlorophenyl)sulfonyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

C22H20ClN3O2S (425.09646900000007)


   

11-(3-amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-6,12-dihydro-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

11-(3-amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-6,12-dihydro-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

C20H15N3O8 (425.085911)


   

2-{[3-(aminomethyl)phenyl]amino}-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one

2-{[3-(aminomethyl)phenyl]amino}-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one

C21H17Cl2N5O (425.0810092)


   

Thiamine diphosphate

Thiamine diphosphate

C12H19N4O7P2S+ (425.04496639999996)


D018977 - Micronutrients > D014815 - Vitamins

   

Glucosinalbin

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate

C14H19NO10S2 (425.0450354)


Glucosinalbin is an alkylglucosinolate. Glucosinalbin is a natural product found in Sinapis alba, Brassica oleracea, and other organisms. Glucosinalbin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=19253-84-0 (retrieved 2024-08-19) (CAS RN: 19253-84-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

thiamine(1+) diphosphate

thiamine(1+) diphosphate

C12H19N4O7P2S (425.04496639999996)


A thiamine phosphate that is thiamine(1+) in which the hydroxy group has been replaced by a diphosphate group. It is the active form of vitamin B1 and an essential cofactor for enzymes in key metabolic pathways.

   

5,12-Dihydroxanthommatin

5,12-Dihydroxanthommatin

C20H15N3O8 (425.085911)


   

Thiamine pyrophosphate

Thiamine pyrophosphate

C12H19N4O7P2S+ (425.0449664)


Thiamine pyrophosphate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=154-87-0 (retrieved 2024-07-02) (CAS RN: 154-87-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Thiamine pyrophosphate is the coenzyme form of Vitamin B1 and is a required intermediate in the pyruvate dehydrogenase complex and the ketoglutarate dehydrogenase complex.

   

AMPK activator 12

AMPK activator 12

C23H24BrNO2 (425.0990304)


AMPK activator 12 (compound 21) is a potent AMPK activator and GDF15 inducer. AMPK activator 12 increases GDF15 protein levels in human hepatic cells[1].

   

Antiviral agent 24

Antiviral agent 24

C18H18F3N5O4 (425.1310824)


Antiviral agent 24 is a potent antiviral agent with EC50 values of 0.101, 19.9, 91.2 μM for EV71, CVA21, EV68, respectively. Antiviral agent 24 inhibits METTL3/METTL14 activity in a dose-dependent manner[1].

   

JNJ-55308942

JNJ-55308942

C17H12F5N7O (425.1023442)


JNJ-55308942 is a high-affinity, selective, brain-penetrant P2X7 functional antagonist (hP2X7: IC50=10 nM, Ki=7.1 nM; rP2X7: IC50=15 nM, Ki=2.9 nM). JNJ-55308942 is orally bioavailable, binds to brain P2X7 and blocks IL-1β release from adult rodent brain[1][2].

   

XEN723

XEN723

C21H20FN5O2S (425.1321672)


XEN723 is a novel and potent thiazolylimidazolidinone inhibitor of Stearoyl-CoA Desaturase (SCD1) with IC50s of 45 and 524 nM in mouse and HepG2 cell, respectively.

   

(2e)-2-cyano-2-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl 4-hydroxy-3-methoxybenzoate

(2e)-2-cyano-2-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl 4-hydroxy-3-methoxybenzoate

C19H23NO10 (425.1321898)


   

[(e)-[2-(3-hydroxyphenyl)-1-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

[(e)-[2-(3-hydroxyphenyl)-1-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C14H19NO10S2 (425.0450354)


   

[(z)-[2-(4-hydroxyphenyl)-1-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

[(z)-[2-(4-hydroxyphenyl)-1-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C14H19NO10S2 (425.0450354)


   

(1r,3r,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylic acid

(1r,3r,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylic acid

C16H19N5O9 (425.1182724)


   

4,6-dihydroxy-5-methoxy-3-propyl-7-[(3r)-2,3,4-trihydroxyindol-3-yl]naphthalene-1,2-dione

4,6-dihydroxy-5-methoxy-3-propyl-7-[(3r)-2,3,4-trihydroxyindol-3-yl]naphthalene-1,2-dione

C22H19NO8 (425.11106140000004)


   

5-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-1h-indole-3-carboxylic acid

5-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-1h-indole-3-carboxylic acid

C18H19NO11 (425.0958064)


   

2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl 4-hydroxy-3-methoxybenzoate

2-cyano-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)ethyl 4-hydroxy-3-methoxybenzoate

C19H23NO10 (425.1321898)


   

(2e)-3-(1h-1,3-benzodiazol-2-yl)-1-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)prop-2-en-1-one

(2e)-3-(1h-1,3-benzodiazol-2-yl)-1-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)prop-2-en-1-one

C25H16ClN3O2 (425.0930986)


   

[(e)-[2-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

[(e)-[2-(4-hydroxyphenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C14H19NO10S2 (425.0450354)


   

10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one

10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one

C22H19NO8 (425.11106140000004)


   

10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one

10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one

C22H19NO8 (425.11106140000004)