877032-57-0

Basic information

• Product Name: 3(4H)-QuinazolinebutanaMide, 2-aMino-N,g-dicyclohexyl-N-Methyl-6-phenoxy-, (gS)-
• Synonyms: 3(4H)-QuinazolinebutanaMide, 2-aMino-N,g-dicyclohexyl-N-Methyl-6-phenoxy-, (gS)-;(4S)-4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide
• CAS NO: 877032-57-0
• Molecular Formula: C31H42N4O2
• Molecular Weight: 502.69
• Mol File: 877032-57-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 682.2±65.0 °C(Predicted)
• Appearance: /
• Density: 1.21±0.1 g/cm3(Predicted)
• PKA: 7.31±0.70(Predicted)
• CAS DataBase Reference: 3(4H)-QuinazolinebutanaMide, 2-aMino-N,g-dicyclohexyl-N-Methyl-6-phenoxy-, (gS)-(CAS DataBase Reference)
• NIST Chemistry Reference: 3(4H)-QuinazolinebutanaMide, 2-aMino-N,g-dicyclohexyl-N-Methyl-6-phenoxy-, (gS)-(877032-57-0)
• EPA Substance Registry System: 3(4H)-QuinazolinebutanaMide, 2-aMino-N,g-dicyclohexyl-N-Methyl-6-phenoxy-, (gS)-(877032-57-0)

Safety Data

• Hazardous Substances Data: 877032-57-0(Hazardous Substances Data)

Upstream product

• 188348-02-9 tert-butyl (R)-(methoxycarbonyl)(cyclohexyl)methylcarbamate 
• 171560-20-6 (2R)-2-(1,1-dimethylethoxycarbonylamino)-2-cyclohexylethanal 
• 100-60-7 N-methylcyclohexylamine 
• 876761-24-9 C₁₇H₂₉NO₄ 
• 876761-29-4 4-(2-amino-5-phenoxy-benzylamino)-4,N-dicyclohexyl-N-methyl-butyramide 
• 506-68-3 bromocyane 
• 876761-25-0 4-tert-butoxycarbonylamino-4-cyclohexyl-butyric acid 
• 548798-25-0 2-nitro-5-phenoxybenzaldehyde 

Relevant articles and documents

Structure-based design, synthesis, and biological evaluation of dihydroquinazoline-derived potent β-secretase inhibitors

Structure-based design, synthesis, and biological evaluation of a series of dihydroquinazoline-derived β-secretase inhibitors incorporating thiazole and pyrazole-derived P2-ligands are described. We have identified inhibitor 4f which has shown potent enzyme inhibitory (Ki = 13 nM) and cellular (IC50 = 21 nM in neuroblastoma cells) assays. A model of 4f was created based upon the X-ray structure of 3a-bound β-secretase. The model suggested possible interactions in the active site.