Products 3035210-39-7

CAS 3035210-39-7 is the registry number for PROTAC Cbl-b-IN-1. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(3S)-3-[6-[4-[[1-[2-[4-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid (CAS 3035210-39-7) is a chemical compound with the molecular formula C53H65F3N12O6 and a molecular weight of 1023.2 g/mol. IUPAC name: (3S)-3-[6-[4-[[1-[2-[4-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid. InChIKey: ILRWIHVCXNHHQI-OSKMFUPOSA-N.

Identity
Molecular formulaC53H65F3N12O6
Molecular weight1023.2 g/mol
IUPAC name(3S)-3-[6-[4-[[1-[2-[4-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid
InChIKeyILRWIHVCXNHHQI-OSKMFUPOSA-N
SMILESCN1C=NN=C1[C@H](C2CCC2)C3=CC(=CC=C3)N4C=C5C(=CC(=CN5C4=O)CN6CCN(CC6)CCN7CCC(CC7)CN8CCN(CC8)C9=CC1=C(C=C9)C(=O)N(C1)[C@H]1CCC(=O)NC1=O)C(F)(F)F.C(=O)O

Computed by PubChem (NCBI)