853269-57-5

Basic information

• Product Name: Tert-butyl [(1r,2s)-2-ethenyl-1-{[(1-Methylcyclopropyl)sulfonyl]carbaMoyl}cyclopropyl]carbaMate
• Synonyms: Tert-butyl [(1r,2s)-2-ethenyl-1-{[(1-Methylcyclopropyl)sulfonyl]carbaMoyl}cyclopropyl]carbaMate;tert-butyl ((1R,2S)-1-(((1-Methylcyclopropyl)sulfonyl)carbaMoyl)-2-vinyl cyclopropyl)carbaMate;EOS-60889;MK5172 intermidiante B
• CAS NO: 853269-57-5
• Molecular Formula: C15H24N2O5S
• Molecular Weight: 344.42646
• EINECS: -0
• Mol File: 853269-57-5.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• Density: 1.27±0.1 g/cm3(Predicted)
• PKA: 4.82±0.40(Predicted)
• CAS DataBase Reference: Tert-butyl [(1r,2s)-2-ethenyl-1-{[(1-Methylcyclopropyl)sulfonyl]carbaMoyl}cyclopropyl]carbaMate(CAS DataBase Reference)
• NIST Chemistry Reference: Tert-butyl [(1r,2s)-2-ethenyl-1-{[(1-Methylcyclopropyl)sulfonyl]carbaMoyl}cyclopropyl]carbaMate(853269-57-5)
• EPA Substance Registry System: Tert-butyl [(1r,2s)-2-ethenyl-1-{[(1-Methylcyclopropyl)sulfonyl]carbaMoyl}cyclopropyl]carbaMate(853269-57-5)

Safety Data

• Hazardous Substances Data: 853269-57-5(Hazardous Substances Data)

Usage

General Description

Tert-butyl [(1r,2s)-2-ethenyl-1-{[(1-Methylcyclopropyl)sulfonyl]carbaMoyl}cyclopropyl]carbaMate is a complex organic chemical compound with a long and intricate name. It belongs to the class of carbaMates and features a tert-butyl group attached to a cyclopropyl ring, along with an ethenyl and sulfonyl carbaMoyl group. The chemical structure also includes a 1-Methylcyclopropyl group. Tert-butyl [(1r,2s)-2-ethenyl-1-{[(1-Methylcyclopropyl)sulfonyl]carbaMoyl}cyclopropyl]carbaMate is likely to have unique chemical and physical properties, as it contains a combination of different functional groups and structural features. Research and experimentation are likely necessary to fully understand the behavior and potential applications of this compound.

Upstream product

• 669008-26-8 1-methylcyclopropane-1-sulfonamide 
• 159622-10-3 (1R,2S)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic acid 
• 159622-09-0 (1R,2S)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic acid methyl ester 
• 259217-95-3 N-Boc-(1R,2S)-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester 
• 1265883-97-3 methyl N-Boc-(1R,2S)-1-amino-2-vinylcyclopropane-carboxylate tosylate 

Relevant articles and documents

Hepatitis C virus inhibitors

Hepatitis C virus inhibitors having the general formula (I) are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

P2-quinazolinones and bis-macrocycles as new templates for next-generation hepatitis C virus NS3/4a protease inhibitors: Discovery of MK-2748 and MK-6325

With the goal of identifying inhibitors of hepatitis C virus (HCV) NS3/4a protease that are potent against a wide range of genotypes and clinically relevant mutant viruses, several subseries of macrocycles were investigated based on observations made during the discovery of MK-5172. Quinazolinone-containing macrocycles were identified as promising leads, and optimization for superior cross-genotype and mutant enzyme potency as well as rat liver and plasma concentrations following oral dosing, led to the development of MK-2748. Additional investigation of a series of bis-macrocycles containing a fused 18- and 15-membered ring system were also optimized for the same properties, leading to the discovery of MK-6325. Both compounds display the broad genotype and mutant potency necessary for clinical development as next-generation HCV NS3/4a protease inhibitors.

HCV NS3 PROTEASE INHIBITORS

The present invention relates to macrocyclic compounds of formula (I) that are useful as inhibitors of the hepatitis C virus (HCV) NS3 protease, their synthesis, and their use for treating or preventing HCV infections.