Exact Mass: 529.1372748

Exact Mass Matches: 529.1372748

Found 65 metabolites which its exact mass value is equals to given mass value 529.1372748, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose

dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-D-glucose; dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose

C17H29N3O12P2 (529.1226414)


A pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose as the sugar component.

   

Nilotinib

4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide

C28H22F3N7O (529.1837838)


Nilotinib, also known as AMN107, is a tyrosine kinase inhibitor under investigation as a possible treatment for chronic myelogenous leukemia (CML). In June 2006, a Phase I clinical trial found nilotinib has a relatively favorable safety profile and shows activity in cases of CML resistant to treatment with imatinib (Gleevec®), another tyrosine kinase inhibitor currently used as a first-line treatment. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor

   

Gluten exorphin B4

(2S)-2-({[2-({[2-({[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}amino)acetyl]oxy}amino)acetyl]oxy}amino)-3-(1H-indol-3-yl)propanoic acid

C24H27N5O9 (529.1808692000001)


Gluten exorphin B4 is a tetrapeptide with the sequence Tyr-Gly-Gly-Trp. Gluten exorphins are a group of opioid peptides which are formed during digestion of the gluten protein. It has been hypothesized that people with autism and schizophrenia have abnormal leakage from the gut of these compounds, which then pass into the brain and disrupt brain function. This is partly the basis for the gluten-free, casein-free diet. The scientific evidence for this diet and its effects is still disputed.

   

Bosutinib

4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

C26H29Cl2N5O3 (529.1647344)


Bosutinib is a Bcr-Abl kinase inhibitor for the treatment of Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML). Compared to other tyrosine kinase inhibitors, it has a more favourable hematologic toxicity profile. FDA approved on September 4, 2012 (DB06616). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

N-((2'R)-2'-Deoxy-2'-fluoro-2'-methyl-p-phenyl-5'-uridylyl)-L-alanine 1-methylethyl ester

2-((5-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy)phenoxyphosphorylamino)propionic acid isopropyl ester

C22H29FN3O9P (529.1625366)


   
   
   
   
   
   
   
   
   

Xanthurat-4.8-diglucosid

Xanthurat-4.8-diglucosid

C22H27NO14 (529.1431482)


   
   

Nilotinib

4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzamide

C28H22F3N7O (529.1837838)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3588

   
   
   

Cys Met Asn Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C21H31N5O7S2 (529.1664816)


   

Cys Met Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Cys Asn Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C21H31N5O7S2 (529.1664816)


   

Cys Asn Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C21H31N5O7S2 (529.1664816)


   

Cys Tyr Met Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Cys Tyr Asn Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C21H31N5O7S2 (529.1664816)


   

Met Cys Asn Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C21H31N5O7S2 (529.1664816)


   

Met Cys Tyr Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Met Asn Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C21H31N5O7S2 (529.1664816)


   

Met Asn Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Met Tyr Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Met Tyr Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Asn Cys Met Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C21H31N5O7S2 (529.1664816)


   

Asn Cys Tyr Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C21H31N5O7S2 (529.1664816)


   

Asn Met Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C21H31N5O7S2 (529.1664816)


   

Asn Met Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Asn Tyr Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C21H31N5O7S2 (529.1664816)


   

Asn Tyr Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Tyr Cys Met Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Tyr Cys Asn Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanoic acid

C21H31N5O7S2 (529.1664816)


   

Tyr Met Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Tyr Met Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Tyr Asn Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C21H31N5O7S2 (529.1664816)


   

Tyr Asn Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C21H31N5O7S2 (529.1664816)


   

Sofosbuvir

Propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C22H29FN3O9P (529.1625366)


J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AP - Antivirals for treatment of hcv infections COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Sofosbuvir (GS-7977) is an HCV RNA replication inhibitor with an EC50 of 92 nM[1].

   

Cefoperazone Impurity A

Cefoperazone Impurity A

C23H23N5O8S (529.1267278)


   
   

Azimilide dihydrochloride

Azimilide (Dihydrochloride)

C23H30Cl3N5O3 (529.1414120000001)


C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

5-O-(isopropyl-L-alanate,phenyl-phosphoramidyl)-2-deoxy-2-fluoro-2-C-methyl-uridine

5-O-(isopropyl-L-alanate,phenyl-phosphoramidyl)-2-deoxy-2-fluoro-2-C-methyl-uridine

C22H29FN3O9P (529.1625366)


   

(Z)-2-(2-Boc-aminothiazole-4-yl-)-2-trityloxyiminoacetic acid

(Z)-2-(2-Boc-aminothiazole-4-yl-)-2-trityloxyiminoacetic acid

C29H27N3O5S (529.1671332000001)


   

N-[[P(S),2R]-2-Deoxy-2-fluoro-2-methyl-P-phenyl-3-uridylyl]-L-alanine 1-methylethyl ester

N-[[P(S),2R]-2-Deoxy-2-fluoro-2-methyl-P-phenyl-3-uridylyl]-L-alanine 1-methylethyl ester

C22H29FN3O9P (529.1625366)


   

4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-(2-hydroxy-5-oxopyrrolidin-1-yl)quinoline-3-carbonitrile

4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-(2-hydroxy-5-oxopyrrolidin-1-yl)quinoline-3-carbonitrile

C28H24ClN5O4 (529.1516734)


   

(2R)-1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene

(2R)-1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene

C32H28FeNOP (529.1257798)


   

(2S)-1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene

(2S)-1-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-2-(diphenylphosphino)-Ferrocene

C32H28FeNOP (529.1257798)


   

(3R,4S,5R,6R)-6-(acetoxyMethyl)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)Methyl)-4-Methylphenyl)-2-Methoxytetrahydro-2H-pyran-3,4,5-triyl

(3R,4S,5R,6R)-6-(acetoxyMethyl)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)Methyl)-4-Methylphenyl)-2-Methoxytetrahydro-2H-pyran-3,4,5-triyl

C27H26FO4S 3* (529.0977188)


   

2,3,6-Trideoxy-3-[[(2-propenyloxy)carbonyl]amino]-alpha-L-lyxo-hexopyranose 1,4-bis(4-nitrobenzoate)

2,3,6-Trideoxy-3-[[(2-propenyloxy)carbonyl]amino]-alpha-L-lyxo-hexopyranose 1,4-bis(4-nitrobenzoate)

C24H23N3O11 (529.1332528)


   

Vecabrutinib

Vecabrutinib

C22H24ClF4N7O2 (529.1616042)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163774 - BTK-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

1-Cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

1-Cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C25H24FN3O7S (529.1318926)


   

bosutinib

Bosutinib (SKI-606)

C26H29Cl2N5O3 (529.1647344)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C23H25N6O5S2+ (529.132778)


   

Lonijaposide J

Lonijaposide J

C24H32ClNO10 (529.1714642000001)


A natural product found in Lonicera japonica.

   
   

methyl 3-({2-[(2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate

methyl 3-({2-[(2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate

C20H35NO13S (529.182902)


A tripartite compound comprising an alpha-D-Gal unit linked to beta-D-GlcNAc, which is in turn linked to a CETE (2-[(2-carbomethoxyethylthio)]ethyl; 2-{[2-(methoxycarbonyl)ethylsulfanyl]}ethyl) moiety.

   
   

GR 89696

GR 89696

C23H29Cl2N3O7 (529.1382464000001)


GR 89696 is a highly selective κ2 opioid receptor agonist with potential to prevent pruritus[1].

   

Ipatasertib (dihydrochloride)

Ipatasertib (dihydrochloride)

C24H34Cl3N5O2 (529.1777954)


Ipatasertib dihydrochloride (GDC-0068 dihydrochloride) is a highly selective and ATP-competitive pan-Akt inhibitor with IC50s of 5, 18 and 8 nM for Akt1, Akt2 and Akt3, respectively.

   

JNJ-18038683

JNJ-18038683

C26H28ClN3O7 (529.1615688)


JNJ-18038683 is a 5-Hydroxytryptamine Type 7 (5-HT7) receptor antagonist, with pKis of 8.19, 8.20 for rat and human 5-HT7 in HEK293 cells, respectively.