1241496-36-5

Basic information

• Product Name: [(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl][(3R,4S)-2'-methyl-7',8'-dihydro-6'H-spiro[pyrrolidine-3,5'-quinolin]-4-yl]methanone
• CAS NO: 1241496-36-5
• Molecular Weight: 471.686
• Mol File: 1241496-36-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl][(3R,4S)-2'-methyl-7',8'-dihydro-6'H-spiro[pyrrolidine-3,5'-quinolin]-4-yl]methanone(CAS DataBase Reference)
• NIST Chemistry Reference: [(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl][(3R,4S)-2'-methyl-7',8'-dihydro-6'H-spiro[pyrrolidine-3,5'-quinolin]-4-yl]methanone(1241496-36-5)
• EPA Substance Registry System: [(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl][(3R,4S)-2'-methyl-7',8'-dihydro-6'H-spiro[pyrrolidine-3,5'-quinolin]-4-yl]methanone(1241496-36-5)

Safety Data

• Hazardous Substances Data: 1241496-36-5(Hazardous Substances Data)

Upstream product

• 5220-49-5 3-amino-cyclohex-2-enone 
• 15450-69-8 5,6,7,8-tetrahydro-5-oxo-2(1H)-quinolinone 
• 1355612-02-0 C₂₂H₂₅ClN₂O₂ 
• 124467-36-3 2-chloro-7,8-dihydro-6H-quinolin-5-one 

Relevant articles and documents

Discovery of pyrrolidine-based β-secretase inhibitors: Lead advancement through conformational design for maintenance of ligand binding efficiency

We have developed a novel series of pyrrolidine derived BACE-1 inhibitors. The potency of the weak initial lead structure was enhanced using library-based SAR methods. The series was then further advanced by rational design while maintaining a minimal ligand binding efficiency threshold. Ultimately, the co-crystal structure was obtained revealing that these inhibitors interacted with the enzyme in a unique fashion. In all, the potency of the series was enhanced by 4 orders of magnitude from the HTS lead with concomitant increases in physical properties needed for series advancement. The progression of these developments in a systematic fashion is described.