Exact Mass: 421.0546126
Exact Mass Matches: 421.0546126
Found 77 metabolites which its exact mass value is equals to given mass value 421.0546126,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bendroflumethiazide
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
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
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
C15H9F6N5OS (421.04319760000004)
Leukadherin-1
C22H15NO4S2 (421.04424700000004)
Sulfosuccinimidobiotin
Neurokinin-1 Receptor Antagonist
C21H16ClN5OS (421.07640360000005)
1D-6-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-chiro-inositol 1-phosphate
C12H24NO13P (421.09852240000004)
Glucoerucin
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
3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one
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
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
C15H9F6N5OS (421.04319760000004)
Asn-Phe4Cl-OH
C18H16ClN3O7 (421.06767360000003)
Phe4Cl-Asn-OH
C18H16ClN3O7 (421.06767360000003)
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
Chlorotripyrrolidinophosphonium hexafluorophosphate
5-O-tert-butyl 1-O-ethyl 3-iodo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1,5-dicarboxylate
C14H20IN3O4 (421.04985100000005)
4-Chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylidene]benzenesulfonamide
C19H20ClN3O4S (421.0862990000001)
PANTOPRAZOLE N-OXIDE SODIUM SALT
C16H14F2N3NaO5S (421.05198980000006)
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
(E)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoicacid
C22H15NO4S2 (421.04424700000004)
6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridinecarboxamide
Sarafloxacin hydrochloride
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
5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
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
(2S)-2-[4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]anilino]butanedioic acid
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate
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
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
C16H16ClN7O3S (421.07238159999997)
2-(2,6-Dichlorophenyl)acetic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester
C17H12Cl2F3NO4 (421.00954480000007)
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide
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-[[4-(2-Methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile
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
[5-(4-Bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
2-(1,3-Dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxobutanenitrile
3-(Tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
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
C18H16ClN3O3S2 (421.03215760000006)
6-(4-Bromophenyl)-2-(4-methoxyphenyl)-1-aza-4-azoniatricyclo[5.4.1.04,12]dodeca-2,4(12),6-triene
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
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
3-(4-Methyl-thiazol-2-yl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one
BAY-4931
C22H16ClN3O4 (421.08292860000006)
BAY-4931 is a potent, covalent and selective PPARγ inverse-agonist with an IC50 of 0.17 nM[1].
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].
VU 0364439
VU 0364439 is a mGlu4 positive allosteric modulator (PAM), with EC50 of 19.8 nM. IC50 Value: 19.8 nM(EC50) Target: mGluR in vitro: in vivo: VU 0364439 possess less than ideal PK properties preventing their use as in vivo tools. It shows better stability in HLM (63\% remaining) than RLM (2\% remaining).