KRAS inhibitor-38

cas: 3059496-10-2 — see every product listed under this CAS number, including other names

KRAS inhibitor-38 (CAS 3059496-10-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

1-[(2R)-2-chloro-2-fluoroacetyl]-4-fluoro-N-[(2S)-1-[[(7S,13S)-20-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,30,31-tetrazahexacyclo[23.3.1.12,5.19,13.019,27.021,26]hentriaconta-1(29),2,5(31),19,25,27-hexaen-7-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylpiperidine-4-carboxamide (CAS 3059496-10-2) is a chemical compound with the molecular formula C53H68ClF2N9O8S and a molecular weight of 1064.7 g/mol. IUPAC name: 1-[(2R)-2-chloro-2-fluoroacetyl]-4-fluoro-N-[(2S)-1-[[(7S,13S)-20-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,30,31-tetrazahexacyclo[23.3.1.12,5.19,13.019,27.021,26]hentriaconta-1(29),2,5(31),19,25,27-hexaen-7-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylpiperidine-4-carboxamide. InChIKey: JAPAXSDAYQBFIJ-YUBGLVCHSA-N.

Identity
Molecular formulaC53H68ClF2N9O8S
Molecular weight1064.7 g/mol
IUPAC name1-[(2R)-2-chloro-2-fluoroacetyl]-4-fluoro-N-[(2S)-1-[[(7S,13S)-20-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,30,31-tetrazahexacyclo[23.3.1.12,5.19,13.019,27.021,26]hentriaconta-1(29),2,5(31),19,25,27-hexaen-7-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylpiperidine-4-carboxamide
InChIKeyJAPAXSDAYQBFIJ-YUBGLVCHSA-N
SMILESC[C@@H](C1=C(C=C(C=N1)N2CCOCC2)C3=C4CC(COC(=O)[C@@H]5CCCN(N5)C(=O)[C@H](CC6=NC(=CS6)C7=CC8=C(C4=C7)N3CCC8)NC(=O)[C@H](C(C)C)N(C)C(=O)C9(CCN(CC9)C(=O)[C@H](F)Cl)F)(C)C)OC

Computed by PubChem (NCBI)

Synonyms: KRAS inhibitor-38

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