Exact Mass: 421.0747142

Exact Mass Matches: 421.0747142

Found 120 metabolites which its exact mass value is equals to given mass value 421.0747142, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

   

Bendroflumethiazide

+--3-Benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulphonamide 1,1-dioxide

C15H14F3N3O4S2 (421.03778000000005)


Bendroflumethiazide is only found in individuals that have used or taken this drug. It is a thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810)As a diuretic, bendroflumethiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like bendroflumethiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of bendroflumethiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle. C - Cardiovascular system > C03 - Diuretics > C03A - Low-ceiling diuretics, thiazides > C03AA - Thiazides, plain D045283 - Natriuretic Agents > D004232 - Diuretics > D049993 - Sodium Chloride Symporter Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators

   

Glucoerucin

{[(Z)-[5-(methylsulfanyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentylidene]amino]oxy}sulfonic acid

C12H23NO9S3 (421.0534908)


Glucoerucin belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Outside of the human body, glucoerucin has been detected, but not quantified in, several different foods, such as cabbages and Brassicas. This could make glucoerucin a potential biomarker for the consumption of these foods. Glucoerucin is isolated from the seeds of salad rocket (Eruca sativa) and Brussels sprouts (Brassica oleracea var. gemmifera). Isolated from seeds of salad rocket (Eruca sativa) and Brussels sprouts (Brassica oleracea variety gemmifera). Glucoerucin is found in many foods, some of which are brussel sprouts, turnip, brassicas, and common cabbage. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007096 - Imidoesters Acquisition and generation of the data is financially supported in part by CREST/JST.

   

3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide

3,4-Dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzene-1-sulphonamide

C17H15N3O6S2 (421.040225)


   

Flumetralin

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

C16H12ClF4N3O4 (421.045243)


   

N-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide

C15H9F6N5OS (421.04319760000004)


   

N-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide

N-{4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide

C15H9F6N5OS (421.04319760000004)


   

Leukadherin-1

4-{5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid

C22H15NO4S2 (421.04424700000004)


   

Sulfosuccinimidobiotin

1-[(5-{2-hydroxy-1H,3ah,4H,6H,6ah-thieno[3,4-D]imidazol-6-yl}pentanoyl)oxy]-2,5-dioxopyrrolidine-3-sulphonic acid

C14H19N3O8S2 (421.0613534)


   

Neurokinin-1 Receptor Antagonist

N-(3-Chlorophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulphanyl}ethanimidic acid

C21H16ClN5OS (421.07640360000005)


   

1D-6-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-chiro-inositol 1-phosphate

1D-6-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-chiro-inositol 1-phosphate

C12H24NO13P (421.09852240000004)


   

Glucoerucin

Glucoerucin

C12H23NO9S3 (421.0534908)


A thia-alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose having a 5-(methylsulfanyl)-N-(sulfooxy)pentanimidoyl group attached to the anomeric sulfur. Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

Sarafloxacin HCl

Sarafloxacin hydrochloride

C20H18ClF2N3O3 (421.1004692)


   

3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one

"NCGC00160268-01!3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one"

C19H19NO8S (421.0831334)


   

4-Methylthiobutyl glucosinolate

4-Methylthiobutyl glucosinolate

C12H23NO9S3 (421.0534908)


   

Glucoerucin (4-methylthiobutyl glucosinolate)

Glucoerucin (4-methylthiobutyl glucosinolate)

C12H23NO9S3 (421.0534908)


   

BENDROFLUMETHIAZIDE

BENDROFLUMETHIAZIDE

C15H14F3N3O4S2 (421.03778000000005)


C - Cardiovascular system > C03 - Diuretics > C03A - Low-ceiling diuretics, thiazides > C03AA - Thiazides, plain D045283 - Natriuretic Agents > D004232 - Diuretics > D049993 - Sodium Chloride Symporter Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators

   

(Methylsulfanyl)butyl glucosinolate

(Methylsulfanyl)butyl glucosinolate

C12H23NO9S3 (421.0534908)


Annotation level-3

   

Piragliatin

Piragliatin

C19H20ClN3O4S (421.0862990000001)


CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3431; ORIGINAL_PRECURSOR_SCAN_NO 3429 C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3421; ORIGINAL_PRECURSOR_SCAN_NO 3418 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3414; ORIGINAL_PRECURSOR_SCAN_NO 3413 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3421; ORIGINAL_PRECURSOR_SCAN_NO 3419 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3430; ORIGINAL_PRECURSOR_SCAN_NO 3428 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7552; ORIGINAL_PRECURSOR_SCAN_NO 7548 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7558; ORIGINAL_PRECURSOR_SCAN_NO 7553 INTERNAL_ID 985; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7580; ORIGINAL_PRECURSOR_SCAN_NO 7576 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7580; ORIGINAL_PRECURSOR_SCAN_NO 7576 CONFIDENCE standard compound; INTERNAL_ID 985; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7590; ORIGINAL_PRECURSOR_SCAN_NO 7586

   

YM-58483

N-[4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

C15H9F6N5OS (421.04319760000004)


   

Asn-Phe4Cl-OH

(S)-2-(3-(2-amino-2-oxoethoxy)-4-nitrobenzamido)-3-(4-chlorophenyl)propanoic acid

C18H16ClN3O7 (421.06767360000003)


   

Phe4Cl-Asn-OH

(S)-5-amino-2-(3-((4-chlorobenzyl)oxy)-4-nitrobenzamido)-5-oxopentanoic acid

C18H16ClN3O7 (421.06767360000003)


   

2-([4-(2-Chlorophenyl)-5-methoxycarbonyl-3-ethoxycarbonyl-6-methyl-2-pyridyl]methoxyacetic acid

2-([4-(2-Chlorophenyl)-5-methoxycarbonyl-3-ethoxycarbonyl-6-methyl-2-pyridyl]methoxyacetic acid

C20H20ClNO7 (421.09282400000006)


   

4-(4-CHLORO-PHENYL)-3-METHYL-1-PHENYL-1H-INDENO[1,2-B]PYRAZOLO[4,3-E]PYRIDIN-5-ONE

4-(4-CHLORO-PHENYL)-3-METHYL-1-PHENYL-1H-INDENO[1,2-B]PYRAZOLO[4,3-E]PYRIDIN-5-ONE

C26H16ClN3O (421.0981836)


   
   

Chlorotripyrrolidinophosphonium hexafluorophosphate

Chlorotripyrrolidinophosphonium hexafluorophosphate

C12H24ClF6N3P2 (421.1038106)


   

5-O-tert-butyl 1-O-ethyl 3-iodo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1,5-dicarboxylate

5-O-tert-butyl 1-O-ethyl 3-iodo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1,5-dicarboxylate

C14H20IN3O4 (421.04985100000005)


   
   

3-(4-CHLORO-PHENYL)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACID

3-(4-CHLORO-PHENYL)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACID

C24H20ClNO4 (421.1080790000001)


   

2-[[4-[ethyl(2-phenoxyethyl)amino]phenyl]azo]-5-nitro-3-Thiophenecarbonitrile

2-[[4-[ethyl(2-phenoxyethyl)amino]phenyl]azo]-5-nitro-3-Thiophenecarbonitrile

C21H19N5O3S (421.1208544000001)


   

4-Chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylidene]benzenesulfonamide

4-Chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylidene]benzenesulfonamide

C19H20ClN3O4S (421.0862990000001)


   

Fmoc-(R)-3-Amino-3-(2-chloro-phenyl)-propionic acid

Fmoc-(R)-3-Amino-3-(2-chloro-phenyl)-propionic acid

C24H20ClNO4 (421.1080790000001)


   

fmoc-(r)-3-amino-3-(3-chloro-phenyl)-propionic acid

fmoc-(r)-3-amino-3-(3-chloro-phenyl)-propionic acid

C24H20ClNO4 (421.1080790000001)


   

fmoc-(s)-3-amino-3-(2-chloro-phenyl)-propionic acid

fmoc-(s)-3-amino-3-(2-chloro-phenyl)-propionic acid

C24H20ClNO4 (421.1080790000001)


   

fmoc-(s)-3-amino-3-(3-chloro-phenyl)-propionic acid

fmoc-(s)-3-amino-3-(3-chloro-phenyl)-propionic acid

C24H20ClNO4 (421.1080790000001)


   
   
   
   
   

Rucaparib phosphate

Rucaparib (AG-014699,PF-01367338)

C19H21FN3O5P (421.12027980000005)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor

   

FMOC-3-AMINO-3-(4-CHLOROPHENYL)PROPIONIC ACID

FMOC-3-AMINO-3-(4-CHLOROPHENYL)PROPIONIC ACID

C24H20ClNO4 (421.1080790000001)


   

tert-Butyl 6-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

tert-Butyl 6-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

C19H25BBrNO4 (421.1059900000001)


   

tert-Butyl 4-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

tert-Butyl 4-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

C19H25BBrNO4 (421.1059900000001)


   

BENZYL ((1R,2S)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-1-HYDROXYPROPAN-2-YL)CARBAMATE

BENZYL ((1R,2S)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-1-HYDROXYPROPAN-2-YL)CARBAMATE

C19H17F6NO3 (421.1112564)


   

Sonedenoson

2-[2-(4-Chlorophenyl)ethoxy]adenosine

C18H20ClN5O5 (421.1152900000001)


C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent

   

3-acetamido-6-acetyl-2-nitrophenyl 4-(dimethylamino)-3,5-difluorobenzoate

3-acetamido-6-acetyl-2-nitrophenyl 4-(dimethylamino)-3,5-difluorobenzoate

C19H17F2N3O6 (421.10853660000004)


   

Fmoc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid

Fmoc-(R)-3-Amino-3-(4-chlorophenyl)propionic acid

C24H20ClNO4 (421.1080790000001)


   
   
   

Boc-D-His(DNP)-OH.IPA

Boc-D-His(DNP)-OH.IPA

C17H19N5O8 (421.1233574)


   
   
   
   

Fmoc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid

Fmoc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid

C24H20ClNO4 (421.1080790000001)


   

Aldose reductase-IN-1

Aldose reductase-IN-1

C17H10F3N5O3S (421.04564260000006)


COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C72880 - Aldose Reductase Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Dezapelisib

Dezapelisib

C20H16FN7OS (421.1121018)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

   
   

(E)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoicacid

(E)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoicacid

C22H15NO4S2 (421.04424700000004)


   
   

2-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid

2-[(4-Chlorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid

C24H20ClNO4 (421.1080790000001)


   

Ethyl 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

Ethyl 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

C21H24ClNO4S (421.1114494000001)


   
   

Sarafloxacin hydrochloride

Sarafloxacin hydrochloride

C20H18ClF2N3O3 (421.1004692)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

   

1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea

1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea

C18H17BrFN3O3 (421.0437244)


   

Bis(myo-inositol) 1,3-phosphate

Bis(myo-inositol) 1,3-phosphate

C12H22O14P- (421.0747142)


   
   

alpha-L-galactopyranose-6-sulfate-(1,3)-beta-D-galactose

alpha-L-galactopyranose-6-sulfate-(1,3)-beta-D-galactose

C12H21O14S- (421.06519860000003)


   

11-(3-Azaniumyl-3-carboxylatopropanoyl)-1-oxido-5-oxopyrido[3,2-a]phenoxazine-3-carboxylate

11-(3-Azaniumyl-3-carboxylatopropanoyl)-1-oxido-5-oxopyrido[3,2-a]phenoxazine-3-carboxylate

C20H11N3O8-2 (421.0546126)


   

(2S)-2-[4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]anilino]butanedioic acid

(2S)-2-[4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]anilino]butanedioic acid

C15H20NO11P (421.077394)


   

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate

C12H23NO9S3 (421.0534908)


   

Picolinic acid, chromium salt

Picolinic acid, chromium salt

C18H15CrN3O6 (421.03659100000004)


D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents

   
   

1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide

1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide

C23H20ClN3OS (421.1015540000001)


   

[4-(Butan-2-ylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide

[4-(Butan-2-ylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide

C16H16ClN7O3S (421.07238159999997)


   

2-Furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone

2-Furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone

C21H19N5O3S (421.1208544000001)


   

2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide

2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide

C21H19N5OS2 (421.1030964)


   

2-[[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole

2-[[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole

C21H16ClN5OS (421.07640360000005)


   

2-[[2-[[5-(4-Tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid

2-[[2-[[5-(4-Tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid

C20H23NO5S2 (421.1017588)


   

N-(2,5-dimethoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide

N-(2,5-dimethoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide

C21H19N5O3S (421.1208544000001)


   

2-[[4-(2-Methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile

2-[[4-(2-Methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile

C18H19N3O5S2 (421.0766084)


   

N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide

C20H21Cl2N3O3 (421.09598960000005)


   

N-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}thiophene-2-carboxamide

N-{[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}thiophene-2-carboxamide

C22H19N3O2S2 (421.0918634)


   

3-(1H-indol-3-yl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide

3-(1H-indol-3-yl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide

C21H19N5O3S (421.1208544000001)


   

N-(4-acetamidophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide

N-(4-acetamidophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide

C19H23N3O4S2 (421.11299180000003)


   

[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate

[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate

C19H20FN3O5S (421.11076420000006)


   

[5-(4-Bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

[5-(4-Bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

C21H16BrN3O2 (421.0425816)


   

2-(1,3-Dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxobutanenitrile

2-(1,3-Dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxobutanenitrile

C21H19N5OS2 (421.1030964)


   

2-({(E)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione

2-({(E)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylidene}amino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione

C22H16FN3O5 (421.1073938)


   

3-(Tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester

3-(Tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester

C17H18F3NO4S2 (421.0629304)


   

2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide

2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide

C19H20ClN3O2S2 (421.06854100000004)


   

N-[2-[(2-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-4-methylbenzenesulfonamide

N-[2-[(2-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-4-methylbenzenesulfonamide

C18H16ClN3O3S2 (421.03215760000006)


   

6-(4-Bromophenyl)-2-(4-methoxyphenyl)-1-aza-4-azoniatricyclo[5.4.1.04,12]dodeca-2,4(12),6-triene

6-(4-Bromophenyl)-2-(4-methoxyphenyl)-1-aza-4-azoniatricyclo[5.4.1.04,12]dodeca-2,4(12),6-triene

C23H22BrN2O+ (421.0915402)


   

5-{[4-({Hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid

5-{[4-({Hydroxy[(4-nitrophenyl)amino]phosphoryl}methyl)phenyl]amino}-5-oxopentanoic acid

C18H20N3O7P (421.10388200000006)


   
   

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide

N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide

C19H20ClN3O4S (421.0862990000001)


   

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-[(1-hydroxy-2-oxoethyl)amino]-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-[(1-hydroxy-2-oxoethyl)amino]-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

C12H16N5O10P (421.0634766)


   

3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one

3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one

C19H19NO8S (421.0831334)


   
   

Ro 61-8048

3,4-Dimethoxy-N-(4-(3-nitrophenyl)thiazol-2-yl)benzenesulfonamide

C17H15N3O6S2 (421.040225)


   

BAY-4931

BAY-4931

C22H16ClN3O4 (421.08292860000006)


BAY-4931 is a potent, covalent and selective PPARγ inverse-agonist with an IC50 of 0.17 nM[1].

   

MF-438

MF-438

C19H18F3N5OS (421.1184094)


MF-438 is a potent and orally bioavailable stearoyl-CoA desaturase 1 (SCD1) inhibitor with an IC50 of 2.3 nM for rSCD1[1].

   

p53-MDM2-IN-1

p53-MDM2-IN-1

C23H20ClN3O3 (421.11931200000004)


p53-MDM2-IN-1 (Example 30) is an inhibitor of p53-MDM2/X protein interaction with an Ki value of 23.35 μM. p53-MDM2-IN-1 can be used for anti-tumor research[1].

   

UNC9995

UNC9995

C20H21Cl2N3OS (421.07823160000004)


UNC9995 is a β-arrestin2-biased agonist of dopamine receptor Drd2. UNC9995 inhibits NLRP3 inflammasome activation by enhancing β-arrestin2-NLRP3 interaction, thus prevents neuronal degeneration. Futhermore, UNC9995 activates the Drd2/β-arrestin2 signaling to prevent inflammation-related genes transcription-induced by JAK/STAT3. UNC9995 improves depressive behavior in mouse model, and improves astrocytes dysfunctions[1].

   

1-caffeoyl galactose-6-sulphate

NA

C15H17O12S? (421.0440702000001)


{"Ingredient_id": "HBIN002429","Ingredient_name": "1-caffeoyl galactose-6-sulphate","Alias": "NA","Ingredient_formula": "C15H17O12S?","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2901","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

7,19-dichloro-3,10,13,14-tetramethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene

7,19-dichloro-3,10,13,14-tetramethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene

C24H21Cl2N3 (421.1112446)


   

(2s,10r)-7,19-dichloro-3,10,13,14-tetramethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene

(2s,10r)-7,19-dichloro-3,10,13,14-tetramethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene

C24H21Cl2N3 (421.1112446)


   

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

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

C12H23NO9S3 (421.0534908)


   

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

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

C12H23NO9S3 (421.0534908)


   

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[5-methanesulfinyl-1-(sulfoimino)pentyl]sulfanyl}oxane-3,4,5-triol

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[5-methanesulfinyl-1-(sulfoimino)pentyl]sulfanyl}oxane-3,4,5-triol

C12H23NO9S3 (421.0534908)


   

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1e)-5-[(s)-methanesulfinyl]-1-(sulfoimino)pentyl]sulfanyl}oxane-3,4,5-triol

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1e)-5-[(s)-methanesulfinyl]-1-(sulfoimino)pentyl]sulfanyl}oxane-3,4,5-triol

C12H23NO9S3 (421.0534908)


   

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

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

C12H23NO9S3 (421.0534908)


   

({7,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-8-yl}oxysulfonyl)acetic acid

({7,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-8-yl}oxysulfonyl)acetic acid

C20H23NO7S (421.11951680000004)


   

{[(9bs,11r)-7,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-8-yl]oxysulfonyl}acetic acid

{[(9bs,11r)-7,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-8-yl]oxysulfonyl}acetic acid

C20H23NO7S (421.11951680000004)