Products 3074833-86-3

CAS 3074833-86-3 is the registry number for KRAS-IN-48 (free base). Offered by: MedChemExpress. Available pack sizes: Get quote.

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

4-[7-cyclobutyl-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]purin-8-yl]oxy-5-ethynyl-6-fluoronaphthalen-2-ol (CAS 3074833-86-3) is a chemical compound with the molecular formula C35H37F2N7O3 and a molecular weight of 641.7 g/mol. IUPAC name: 4-[7-cyclobutyl-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]purin-8-yl]oxy-5-ethynyl-6-fluoronaphthalen-2-ol. InChIKey: VBQJMJZITQEMQR-JZVQQYMESA-N.

Identity
Molecular formulaC35H37F2N7O3
Molecular weight641.7 g/mol
IUPAC name4-[7-cyclobutyl-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]purin-8-yl]oxy-5-ethynyl-6-fluoronaphthalen-2-ol
InChIKeyVBQJMJZITQEMQR-JZVQQYMESA-N
SMILESC#CC1=C(C=CC2=CC(=CC(=C21)OC3=NC4=C(N3C5CCC5)C(=NC(=N4)OC[C@@]67CCCN6C[C@@H](C7)F)N8CC9CCC(C8)N9)O)F

Computed by PubChem (NCBI)

Synonyms: orb3174979