CHEBI:178199 - sotorasib

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ChEBI Name sotorasib ChEBI ID CHEBI:178199 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C30H30F2N6O3 Net Charge 0 Average Mass 560.606 Monoisotopic Mass 560.23475 InChI InChI=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 InChIKey NXQKSXLFSAEQCZ-SFHVURJKSA-N SMILES CC(C)C1=NC=CC(C)=C1N1C(=O)N=C(N2CCN(C[C@@H]2C)C(=O)C=C)C2=C1N=C(C(F)=C2)C1=C(F)C=CC=C1O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources sotorasib WHO MedNet sotorasib WHO MedNet sotorasib WHO MedNet sotorasibum WHO MedNet Synonyms Sources AMG 510 ChemIDplus AMG-510 ChemIDplus AMG510 ChemIDplus Brand Name Source Lumakras KEGG DRUG Manual Xrefs Databases 72380148 ChemSpider D12055 KEGG DRUG DB15569 DrugBank Sotorasib Wikipedia View more database links Registry Number Type Source 2296729-00-3 CAS Registry Number ChemIDplus Citations Types Sources 31189530 PubMed citation Europe PMC 31666701 PubMed citation Europe PMC 31820981 PubMed citation Europe PMC 32540954 PubMed citation Europe PMC 32686745 PubMed citation Europe PMC 32955176 PubMed citation Europe PMC 33283304 PubMed citation Europe PMC 33466360 PubMed citation Europe PMC 33547148 PubMed citation Europe PMC 33957355 PubMed citation Europe PMC 33971321 PubMed citation Europe PMC 34004237 PubMed citation Europe PMC 34043291 PubMed citation Europe PMC 34094546 PubMed citation Europe PMC 34096690 PubMed citation Europe PMC 34137282 PubMed citation Europe PMC 34140669 PubMed citation Europe PMC 34144959 PubMed citation Europe PMC 34158284 PubMed citation Europe PMC 34219153 PubMed citation Europe PMC 34301758 PubMed citation Europe PMC 34357500 PubMed citation Europe PMC 34359807 PubMed citation Europe PMC Last Modified 19 July 2022