Exact Mass: 464.04295379999996
Exact Mass Matches: 464.04295379999996
Found 85 metabolites which its exact mass value is equals to given mass value 464.04295379999996,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
D-Tryptophan, N-((5-(2-(4-methylphenyl)ethynyl)-2-thienyl)sulfonyl)-
C24H20N2O4S2 (464.08644400000003)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C1970 - Matrix Metalloproteinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Sorafenib
Sorafenib (rINN), marketed as Nexavar by Bayer, is a drug approved for the treatment of advanced renal cell carcinoma (primary kidney cancer). It has also received Fast Track designation by the FDA for the treatment of advanced hepatocellular carcinoma (primary liver cancer), and has since performed well in Phase III trials. Sorafenib is a small molecular inhibitor of Raf kinase, PDGF (platelet-derived growth factor), VEGF receptor 2 & 3 kinases and c Kit the receptor for Stem cell factor. A growing number of drugs target most of these pathways. The originality of Sorafenib lays in its simultaneous targeting of the Raf/Mek/Erk pathway. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Sorafenib (Bay 43-9006) is a potent and orally active Raf inhibitor with IC50s of 6 nM and 20 nM for Raf-1 and B-Raf, respectively. Sorafenib is a multikinase inhibitor with IC50s of 90 nM, 15 nM, 20 nM, 57 nM and 58 nM for VEGFR2, VEGFR3, PDGFRβ, FLT3 and c-Kit, respectively. Sorafenib induces autophagy and apoptosis. Sorafenib has anti-tumor activity. Sorafenib is a ferroptosis activator[1].
5-Chloromethylfluorescein diacetate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
1,1,2,2-Tetrahydroperfluoro-1-decanol
C10H5F17O (464.00689239999997)
D-Tryptophan, N-[[5-[2-(4-methylphenyl)ethynyl]-2-thienyl]sulfonyl]-
C24H20N2O4S2 (464.08644400000003)
Ellagic acid glucoside
Ellagic acid glucoside is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Ellagic acid glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ellagic acid glucoside can be found in pomegranate and strawberry, which makes ellagic acid glucoside a potential biomarker for the consumption of these food products.
5-Hydroxyglucobrassicin
C16H20N2O10S2 (464.05593400000004)
5-hydroxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 5-hydroxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-hydroxyglucobrassicin can be found in broccoli, cauliflower, and kohlrabi, which makes 5-hydroxyglucobrassicin a potential biomarker for the consumption of these food products.
4-Hydroxyglucobrassicin
C16H20N2O10S2 (464.05593400000004)
4-hydroxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-hydroxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-hydroxyglucobrassicin can be found in a number of food items such as broccoli, cabbage, chinese cabbage, and swede, which makes 4-hydroxyglucobrassicin a potential biomarker for the consumption of these food products.
6-methylsulfinylhexyl glucosinolate
C14H26NO10S3 (464.07187960000005)
6-methylsulfinylhexyl glucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 6-methylsulfinylhexyl glucosinolate can be found in a number of food items such as pigeon pea, sourdough, jicama, and mentha (mint), which makes 6-methylsulfinylhexyl glucosinolate a potential biomarker for the consumption of these food products.
4-hydroxyglucobrassicin
C16H20N2O10S2 (464.05593400000004)
An indolylmethylglucosinolic acid that is glucobrassicin bearing a hydroxy substituent at position 4 on the indole ring.
2-(Perfluorooctyl)ethanol
C10H5F17O (464.00689239999997)
CASMI2013 Challenge_15 MS2 data, retention time = 7.3 min CASMI2013 Challenge_15 MS1 data, retention time = 7.3 min
(1S)-1,2-dihydro-1-hydroxybromosphaerol|1S-hydroxy-1,2-dihydrobromosphaerol
C20H34Br2O2 (464.09253839999997)
3-(4-acetoxy-phenyl)-6-(3,4-diacetoxy-phenyl)-furo[3,2-b]furan-2,5-dione|Triacetyl-xerocomsaeurelacton|Xerocomsaeurelactontriacetat
6-Brom-isoarboreol|6-Brom-isoarboreol|6-Bromoisoarboreol
4-Hydroxy-3-Indolylmethyl glucosinolate
C16H20N2O10S2 (464.05593400000004)
Sorafenib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Sorafenib (Bay 43-9006) is a potent and orally active Raf inhibitor with IC50s of 6 nM and 20 nM for Raf-1 and B-Raf, respectively. Sorafenib is a multikinase inhibitor with IC50s of 90 nM, 15 nM, 20 nM, 57 nM and 58 nM for VEGFR2, VEGFR3, PDGFRβ, FLT3 and c-Kit, respectively. Sorafenib induces autophagy and apoptosis. Sorafenib has anti-tumor activity. Sorafenib is a ferroptosis activator[1].
1,4-BUTANEDIONE, 1-(3-BROMO-4-METHOXYPHENYL)-2,3-DIMETHYL-4-(3,4,5-TRIMETHOXYPHENYL)-
BIS(ISOPROPYLCYCLOPENTADIENYL)HAFNIUM DICHLORIDE
C16H22Cl2Hf (464.05640819999996)
Edaglitazone
C24H20N2O4S2 (464.08644400000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
Donafenib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine
6-(3,4-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1H-pyrazolo[3,4-D]pyrimidin-4(5H)-one
C20H15Cl3N4O3 (464.02096900000004)
5-[4-(1-Carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic acid
C20H20N2O9S (464.0889470000001)
1-{5-[2-(Thieno[3,2-D]pyrimidin-4-Ylamino)ethyl]-1,3-Thiazol-2-Yl}-3-[3-(Trifluoromethyl)phenyl]urea
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
C16H20N2O10S2 (464.05593400000004)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(1-hydroxyindol-3-yl)-N-sulfooxyethanimidothioate
C16H20N2O10S2 (464.05593400000004)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2R)-2-amino-3-methylsulfanylpropanoate
C14H21N6O8PS (464.08791560000003)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(5-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
C16H20N2O10S2 (464.05593400000004)
[(Z)-[7-methylsulfinyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylheptylidene]amino] sulfate
C14H26NO10S3- (464.07187960000005)
2-[[5-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)acetamide
5-bromo-N-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-furohydrazide
C22H17BrN4O3 (464.04839519999996)
5-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylidene-4-imidazolidinone
2-(3-bromophenyl)-N-({5-nitro-2-furyl}methylene)-4-quinolinecarbohydrazide
C21H13BrN4O4 (464.01201180000004)
1-(3-Acetylphenyl)-3-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]urea
2-(2-amino-5,6-dichloro-1-benzimidazolyl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine
C23H18Cl2N6O (464.09190779999994)
[2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate
5-chloromethylfluorescein
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
Hydroxyindolylmethylglucosinolate
C16H20N2O10S2 (464.05593400000004)
UCM05
UCM05 (G28UCM) is a potent inhibitor of fatty acid synthase (FASN) shows activity against HER2+ breast cancer xenografts and is active in anti-HER2 drug-resistant cell lines. UCM05 is a Filamentous temperature-sensitive protein Z (FtsZ) inhibitor and inhibits the growth of the Gram-positive bacterium B. subtilis with MIC values of 100 μM but lack activity on the Gram-negative bacterium E. coli.
(3s,3as,4r,7s,7as)-7-bromo-3-{[(1s,4s)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-4,7a-dimethyl-hexahydro-1h-inden-4-ol
C20H34Br2O2 (464.09253839999997)
[(z)-[2-(4-hydroxy-1h-indol-3-yl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
C16H20N2O10S2 (464.05593400000004)
[(e)-[2-(5-hydroxy-1h-indol-3-yl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
C16H20N2O10S2 (464.05593400000004)
6,7,14-trihydroxy-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
2-bromo-1,6,8-trihydroxy-7-(1-hydroxyhexyl)-3-methoxyanthracene-9,10-dione
(1s,2r,4r)-4-bromo-2-{2-[(2s,3r,6s)-3-bromo-6-ethenyl-2,6-dimethyloxan-2-yl]ethyl}-1,3,3-trimethylcyclohexan-1-ol
C20H34Br2O2 (464.09253839999997)
[(z)-[2-(4-hydroxy-1h-indol-3-yl)-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
C16H20N2O10S2 (464.05593400000004)
(10s,11s)-2,5,10,11,17,19-hexahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1,3(12),4(9),5,7,13,16,18,20-nonaene-6-carboxylic acid
6-(2,4-dihydroxy-6-methylbenzoyl)-2,5-dihydroxy-7-[(4-hydroxy-6-oxopyran-2-yl)methyl]naphthalene-1,4-dione
7-methyl-6,8-dioxo-3-(prop-1-en-1-yl)isochromen-7-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
C22H18Cl2O7 (464.04295379999996)
1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-decahydro-1h-phenanthrene-4,5-diol
C20H34Br2O2 (464.09253839999997)
4-{6-[3,4-bis(acetyloxy)phenyl]-2,5-dioxofuro[3,2-b]furan-3-yl}phenyl acetate
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(10r)-2,5,10,13,17,19-hexahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaene-6-carboxylic acid
2-bromo-1,6,8-trihydroxy-7-[(1s)-1-hydroxyhexyl]-3-methoxyanthracene-9,10-dione
6-{2,4-dihydroxy-6-[(4-hydroxy-6-oxopyran-2-yl)methyl]benzoyl}-2,7-dihydroxy-5-methylnaphthalene-1,4-dione
(1s,4r,4as,4bs,5s,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-decahydro-1h-phenanthrene-4,5-diol
C20H34Br2O2 (464.09253839999997)
{[2-(4-hydroxy-1h-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino}oxysulfonic acid
C16H20N2O10S2 (464.05593400000004)
6,7,14-trihydroxy-13-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
4-bromo-2-[2-(3-bromo-6-ethenyl-2,6-dimethyloxan-2-yl)ethyl]-1,3,3-trimethylcyclohexan-1-ol
C20H34Br2O2 (464.09253839999997)
(7s)-7-methyl-6,8-dioxo-3-[(1e)-prop-1-en-1-yl]isochromen-7-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
C22H18Cl2O7 (464.04295379999996)
[(e)-[2-(4-hydroxy-1h-indol-3-yl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
C16H20N2O10S2 (464.05593400000004)