ChemicalBook Product Catalog Simeprevir

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Simeprevir

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Min. Order1KG
Purity99%
Cas No923604-59-5
Supply Abilitykg/T
Update time2019-12-20

career henan chemical co

5YR

China

Chemical Properties

Product Name	Simeprevir
CAS No	923604-59-5
EC-No	689-150-1
Min. Order	1KG
Purity	99%
Supply Ability	kg/T
Release date	2019/12/20

Heidi228

Email: heidi@coreychem.com

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Simeprevir Basic information

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Product Name:

Simeprevir

Synonyms:

(2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide;TMC 435350;SiMeprevir;TMC435,TMC435350,TMC-435350;(2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13, 14,14a-tetradecahydro-2-[[7-;siMeprevir/TMC435;Simeprevir-13C-d3;(2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-Methoxy-8-Methyl-2-[4-(1-Methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-Methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1

CAS:

923604-59-5

MF:

C38H47N5O7S2

MW:

749.93908

EINECS:

689-150-1

Product Categories:

API;-

Mol File:

923604-59-5.mol

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Simeprevir Chemical Properties

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density

1.38

pka

4.47±0.40(Predicted)

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Safety Information

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MSDS Information

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Simeprevir Usage And Synthesis

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Description

In September 2013, simeprevir (also known as TMC435) was approved in Japan (trade name Sovriad?) for the treatment of genotype 1 hepatitis C virus (HCV) infection in combination with pegylated interferon and ribavirin (PR). Simeprevir was approved for the same indication in November 2013 in the United States (trade name Olysio?) and Canada (trade name Galexos?). Simeprevir is the third HCV PI to receive approval and was discovered from an effort to optimize a novel series of cyclopentane-core macrocyclic HCV PIs. Unlike the earlier PIs, simeprevir does not rely on formation of a covalent intermediate to inhibit the enzyme, but instead gains binding affinity through a large P2 quinoline substituent that occupies an extended S2 subsite of HCV protease by induced fit. This pocket is not occupied by inhibitors such as telaprevir and boceprevir. Other key features of simeprevir are truncation of the P3 capping group (the N-methyl amide), use of an acylsulfonamide as an acid isostere, and incorporation of an isopropylthiazole group to give improved permeability. Simeprevir is a potent NS3/4A PI (Ki=0.36 nM), with antiviral activity in the HCV replicon assay (genotype 1b EC₅₀=7.8 nM; genotype 1a EC₅₀=28.4 nM). It is 25-fold less potent against HCV genotype 2, >1000 less potent for HCV genotype 3, but has 3-fold better potency for HCV genotype 4.

Originator

Tibotec and Medivir (Ireland and Sweden)

Brand name

Sovriad

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