Products 2821793-99-9
CAS 2821793-99-9 is the registry number for Setidegrasib, 99.65%. Offered by: MedChemExpress. Available pack sizes: 5 mg, 10 mg, 25 mg, 1 mg.
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CAS 2821793-99-9) is a chemical compound with the molecular formula C60H65FN12O7S and a molecular weight of 1117.3 g/mol. IUPAC name: (2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide. InChIKey: XXWMEQMGQNHRAF-WFJRNIGCSA-N.
| Molecular formula | C60H65FN12O7S |
|---|---|
| Molecular weight | 1117.3 g/mol |
| IUPAC name | (2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide |
| InChIKey | XXWMEQMGQNHRAF-WFJRNIGCSA-N |
| SMILES | CC1=C(C=C2C(=C1C3=C(C=C4C(=C3OCC5=CC=C(C=C5)C6=CN(N=N6)[C@@H](C(C)C)C(=O)N7C[C@@H](C[C@H]7C(=O)N[C@@H](CO)C8=CC=C(C=C8)C9=C(N=CS9)C)O)N=C(N=C4N1C[C@@H]3C[C@H]1CN3)OC1CCOCC1)C1CC1)C=NN2)F |
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