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CHEBI:178199 - sotorasib

ChEBI IDCHEBI:178199
ChEBI Namesotorasib
Stars
DefinitionA pyridopyrimidine that is pyrido[2,3-d]pyrimidin-2(1H)-one substituted by 4-methyl-2-(propan-2-yl)pyridin-3-yl, (2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl, fluoro and 2-fluoro-6-hydroxyphenyl groups at positions 1, 4, 6 and 7, respectively. It is approved for the treatment of patients with non-small cell lung cancer having KRASG12C mutations.
Last Modified19 July 2022
SubmitterAdnan
DownloadsMolfile
FormulaC30H30F2N6O3
Net Charge0
Average Mass560.605
Monoisotopic Mass560.23475
SMILESC=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
InChIInChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1
InChIKeyNXQKSXLFSAEQCZ-SFHVURJKSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
sotorasib (CHEBI:178199) has role antineoplastic agent (CHEBI:35610)
sotorasib (CHEBI:178199) is a N-acylpiperazine (CHEBI:46844)
sotorasib (CHEBI:178199) is a acrylamides (CHEBI:22216)
sotorasib (CHEBI:178199) is a methylpyridines (CHEBI:25340)
sotorasib (CHEBI:178199) is a monofluorobenzenes (CHEBI:83575)
sotorasib (CHEBI:178199) is a phenols (CHEBI:33853)
sotorasib (CHEBI:178199) is a pyridopyrimidine (CHEBI:38932)
sotorasib (CHEBI:178199) is a tertiary amino compound (CHEBI:50996)
sotorasib (CHEBI:178199) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]-4-[(2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2(1H)-one
INNs  Source
sotorasibWHO MedNet
sotorasibWHO MedNet
sotorasibWHO MedNet
sotorasibumWHO MedNet
Synonyms  Source
AMG 510ChemIDplus
AMG-510ChemIDplus
AMG510ChemIDplus
Brand Name  Source
LumakrasKEGG DRUG
Manual XrefsDatabases
72380148ChemSpider
D12055KEGG DRUG
DB15569DrugBank
SotorasibWikipedia
Registry NumbersSources
CAS:2296729-00-3ChemIDplus
Citations