1066866-77-0

Basic information

• Product Name: (R)-5-oxohexan-2-yl ((2S,3R)-3-hydroxy-4-(N-((S)-2-methylbutyl)benzo[d]thiazole-6-sulfonamido)-1-phenylbutan-2-yl)carbamate
• CAS NO: 1066866-77-0
• Molecular Weight: 589.777
• Mol File: 1066866-77-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (R)-5-oxohexan-2-yl ((2S,3R)-3-hydroxy-4-(N-((S)-2-methylbutyl)benzo[d]thiazole-6-sulfonamido)-1-phenylbutan-2-yl)carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-5-oxohexan-2-yl ((2S,3R)-3-hydroxy-4-(N-((S)-2-methylbutyl)benzo[d]thiazole-6-sulfonamido)-1-phenylbutan-2-yl)carbamate(1066866-77-0)
• EPA Substance Registry System: (R)-5-oxohexan-2-yl ((2S,3R)-3-hydroxy-4-(N-((S)-2-methylbutyl)benzo[d]thiazole-6-sulfonamido)-1-phenylbutan-2-yl)carbamate(1066866-77-0)

Safety Data

• Hazardous Substances Data: 1066866-77-0(Hazardous Substances Data)

Upstream product

• 65709-73-1 (5R)-hydroxyhexane-2-one 
• 1026701-90-5 C₂₂H₂₉N₃O₃S₂ 
• 1386394-47-3 (R)-2,5-dioxopyrrolidin-1-yl (5-oxohexan-2-yl)carbonate 
• 1026701-54-1 tert-butyl ((2S,3R)-3-hydroxy-4-(N-((2S)-2-methylbutyl)benzo[d]thiazole-6-sulfonamido)-1-phenylbutan-2-yl)carbamate 

Relevant articles and documents

Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance

A series of new HIV-1 protease inhibitors (PIs) were designed using a general strategy that combines computational structure-based design with substrate-envelope constraints. The PIs incorporate various alcohol-derived P2 carbamates with acyclic and cyclic heteroatomic functionalities into the (R)-hydroxyethylamine isostere. Most of the new PIs show potent binding affinities against wild-type HIV-1 protease and three multidrug resistant (MDR) variants. In particular, inhibitors containing the 2,2-dichloroacetamide, pyrrolidinone, imidazolidinone, and oxazolidinone moieties at P2 are the most potent with Ki values in the picomolar range. Several new PIs exhibit nanomolar antiviral potencies against patient-derived wild-type viruses from HIV-1 clades A, B, and C and two MDR variants. Crystal structure analyses of four potent inhibitors revealed that carbonyl groups of the new P2 moieties promote extensive hydrogen bond interactions with the invariant Asp29 residue of the protease. These structure-activity relationship findings can be utilized to design new PIs with enhanced enzyme inhibitory and antiviral potencies.