552335-44-1

Basic information

• Product Name: (1R,2S)-ethyl 1-((2S,4R)-1-((S)-2-(((tert-butoxy)carbonyl)amino)non-8-enoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate
• Synonyms: (1R,2S)-ethyl 1-((2S,4R)-1-((S)-2-(((tert-butoxy)carbonyl)amino)non-8-enoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate
• CAS NO: 552335-44-1
• Molecular Formula: C₂₇H₄₃N₃O₇
• Molecular Weight: 521.65
• Mol File: 552335-44-1.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 713.4±60.0 °C(Predicted)
• Appearance: /
• Density: 1.17±0.1 g/cm3(Predicted)
• PKA: 11.54±0.46(Predicted)
• CAS DataBase Reference: (1R,2S)-ethyl 1-((2S,4R)-1-((S)-2-(((tert-butoxy)carbonyl)amino)non-8-enoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: (1R,2S)-ethyl 1-((2S,4R)-1-((S)-2-(((tert-butoxy)carbonyl)amino)non-8-enoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate(552335-44-1)
• EPA Substance Registry System: (1R,2S)-ethyl 1-((2S,4R)-1-((S)-2-(((tert-butoxy)carbonyl)amino)non-8-enoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate(552335-44-1)

Safety Data

• Hazardous Substances Data: 552335-44-1(Hazardous Substances Data)

Usage

General Description

The chemical "(1R,2S)-ethyl 1-((2S,4R)-1-((S)-2-(((tert-butoxy)carbonyl)amino)non-8-enoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate" is a complex compound with several functional groups. It contains an ethyl ester group, a vinylcyclopropane carboxylate group, and a pyrrolidine-2-carboxamido group. (1R,2S)-ethyl 1-((2S,4R)-1-((S)-2-(((tert-butoxy)carbonyl)amino)non-8-enoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate is also composed of enoyl, hydroxy, and tert-butoxycarbonyl-amino groups. The stereochemistry of the compound is specified by the (1R,2S) and (2S,4R) configurations. The presence of these various functional groups and stereochemical configurations suggests that this compound may have potential applications in medicinal chemistry, drug development, or organic synthesis.

Upstream product

• 259214-54-5 ethyl (1R,2S)-1-amino-2-vinylcyclopropanecarboxylate hydrochloride 
• 552335-47-4 1-(2(S)-tert-butoxycarbonylamino-non-8-enoyl)-4(R)-hydroxy-pyrrolidine-2(S)-carboxylic acid 
• 1023795-84-7 C₂₁H₂₁NO₂ 
• 1393095-18-5 (E)-ethyl 1-(benzylideneamino)-2-vinylcyclopropanecarboxylate 
• 681807-59-0 (1R,2S)-ethyl 1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylate 
• 552335-43-0 1-(2(S)-tert-Butoxycarbonylamino-non-8-enoyl)-4(R)-hydroxy-pyrrolidine-2(S)-carboxylic acid methyl ester 
• 40216-83-9 L-4-hydroxyproline methyl ester hydrochloride 
• 300831-21-4 (S)-2-(tert-butoxycarbonylamino)non-8-enoic acid 
• 13726-69-7 (2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid 
• 669008-08-6 (2S,4R)-tert-butyl 2-((trans)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate 
• 259214-54-5 ethyl (1R,2S)-1-amino-2-vinylcyclopropanecarboxylate hydrochloride 
• 213316-49-5 (1RS,2SR)-ethyl 2-vinyl-1-(tert-butoxycarbonylamino)cyclopropanecarboxylate 
• 787548-29-2 (1R,2S)/(1S,2R) 1-amino-2-vinylcyclopropane carboxylic acid ethyl ester 
• 862119-82-2 (2S,4R)-tert-butyl 2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate 

Downstream Products

• 790305-05-4 tert-butyl (2R,6S,13aS,14aR,16aS,Z)-14a-(cyclopropylsulfonylcarbamoyl)-2-hydroxy-5,16-dioxo-1,2,3,5,6,7,8, 9,10,11,13a,14,14a,15,16,16a-hexadecahydronaphthylcyclopropanoyl[e]pyrrolo[1,2-a][1,4]diazacyclopenta decyne-6-yl-carbamate 
• 1029259-57-1 C₃₂H₄₄N₄O₈S 
• 1029259-59-3 C₃₈H₄₈N₄O₈S 

Relevant articles and documents

Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease

HCV serine protease NS3 represents an attractive drug target because it is not only essential for viral replication but also implicated in the viral evasion of the host immune response pathway through direct cleavage of key proteins in the human innate im

Inhibitors of Hepatitis C Virus

Macrocyclic peptides are disclosed having the general formula: wherein R3, R3′, R4, R6, R′, X, Q and W are described. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS

Macrocyclic peptides having the general formula are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.