Products 3059496-56-6
CAS 3059496-56-6 is the registry number for KRAS inhibitor-40. Offered by: MedChemExpress. Available pack sizes: Get quote.
1-(2-chloro-2-fluoroacetyl)-N-[1-[[23,23-difluoro-20-[2-(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]-4-fluoro-N-methylpiperidine-4-carboxamide (CAS 3059496-56-6) is a chemical compound with the molecular formula C53H66ClF4N9O8S and a molecular weight of 1100.7 g/mol. IUPAC name: 1-(2-chloro-2-fluoroacetyl)-N-[1-[[23,23-difluoro-20-[2-(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]-4-fluoro-N-methylpiperidine-4-carboxamide. InChIKey: YTSDKSMOAIVSJP-UHFFFAOYSA-N.
| Molecular formula | C53H66ClF4N9O8S |
|---|---|
| Molecular weight | 1100.7 g/mol |
| IUPAC name | 1-(2-chloro-2-fluoroacetyl)-N-[1-[[23,23-difluoro-20-[2-(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]-4-fluoro-N-methylpiperidine-4-carboxamide |
| InChIKey | YTSDKSMOAIVSJP-UHFFFAOYSA-N |
| SMILES | CC(C)C(C(=O)NC1CC2=NC(=CS2)C3=CC4=C5C(=C3)C(=C(N5CC(C4)(F)F)C6=C(N=CC(=C6)N7CCOCC7)C(C)OC)CC(COC(=O)C8CCCN(C1=O)N8)(C)C)N(C)C(=O)C9(CCN(CC9)C(=O)C(F)Cl)F |
Computed by PubChem (NCBI)
Synonyms:
orb2945570