853654-15-6

Basic information

• Product Name: Cyclohexanecarboxylic acid, 1-[[(methylsulfonyl)oxy]methyl]-, methyl ester
• CAS NO: 853654-15-6
• Molecular Formula: C10H18O5S
• Molecular Weight: 250.316
• Mol File: 853654-15-6.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Cyclohexanecarboxylic acid, 1-[[(methylsulfonyl)oxy]methyl]-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexanecarboxylic acid, 1-[[(methylsulfonyl)oxy]methyl]-, methyl ester(853654-15-6)
• EPA Substance Registry System: Cyclohexanecarboxylic acid, 1-[[(methylsulfonyl)oxy]methyl]-, methyl ester(853654-15-6)

Safety Data

• Hazardous Substances Data: 853654-15-6(Hazardous Substances Data)

Upstream product

• 124-63-0 methanesulfonyl chloride 
• 104654-66-2 methyl 1-hydroxymethylcyclohexanecarboxylate 

Downstream Products

• 865459-99-0 C₂₂H₂₆O₃S 
• 864185-88-6 C₁₃H₂₄O₂S 
• 864185-89-7 C₁₂H₂₂O₂S 
• 865459-86-5 C₁₀H₁₈O₂S 

Relevant articles and documents

The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: A change in direction in the search for a second generation HCV NS3 protease inhibitor

In the search for a second generation HCV protease inhibitor, molecular modeling studies of the X-ray crystal structure of Boceprevir 1 bound to the NS3 protein suggest that expansion into the S4 pocket could provide additional hydrophobic Van der Waals interactions. Effective replacement of the P4 tert-butyl with a cyclohexylmethyl ligand led to inhibitor 2 with improved enzyme and replicon activities. Subsequent modeling and SAR studies led to the pyridine 38 and sulfone analogues 52 and 53 with vastly improved PK parameters in monkeys, forming a new foundation for further exploration.

Acylsulfonamide compounds as inhibitors of hepatitis C virus NS3 serine protease

The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE

The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.