Simeprevir

CAS No.: 923604-59-5

Chemical Name:: Simeprevir

Synonyms: TMC435;CS-954;SiMeprevir;TMC 435350;siMeprevir/TMC435;Simeprevir-13C-d3;PubChem ID: 24873435;Simeprevir(TMC 435350);TMC435350 (Simeprevir);Simeprevir (sodium salt)

CBNumber:: CB82510099

Molecular Formula:: C38H47N5O7S2

Molecular Weight:: 749.94

MOL File:: 923604-59-5.mol

MSDS File:: SDS

Modify Date:: 2024/7/2 8:55:20

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Simeprevir Properties

Density	1.38
storage temp.	Store at -20°C
solubility	insoluble in H2O; insoluble in EtOH; ≥18.75 mg/mL in DMSO
form	solid
pka	4.47±0.40(Predicted)
color	White to off-white

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302
Precautionary statements	P280-P305+P351+P338

Simeprevir Chemical Properties,Uses,Production

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

Simeprevir Preparation Products And Raw materials

Raw materials

Preparation Products

Simeprevir Suppliers

Global( 146)Suppliers

Supplier	Tel	Country	ProdList	Advantage	Inquiry
BDR Pharmaceuticals International Pvt Ltd	+91-2240560560 +91-7718884418	Maharashtra, India	206	58	Inquiry
CLEARSYNTH LABS LTD.	+91-22-45045900	Hyderabad, India	6351	58	Inquiry
A.J Chemicals	91-9810153283	New Delhi, India	6124	58	Inquiry
Pharmaffiliates Analytics and Synthetics P. Ltd	+91-172-5066494	Haryana, India	6773	58	Inquiry
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	China	21663	55	Inquiry
BOC Sciences	+1-631-485-4226	United States	19553	58	Inquiry
Chongqing Chemdad Co., Ltd	+86-023-6139-8061 +86-86-13650506873	China	39916	58	Inquiry
CONIER CHEM AND PHARMA LIMITED	+8618523575427	China	49403	58	Inquiry
career henan chemical co	+86-0371-86658258 +8613203830695	China	29821	58	Inquiry
Hebei Mojin Biotechnology Co., Ltd	+86 13288715578 +8613288715578	China	12585	58	Inquiry

Supplier	Advantage
BDR Pharmaceuticals International Pvt Ltd	58
CLEARSYNTH LABS LTD.	58
A.J Chemicals	58
Pharmaffiliates Analytics and Synthetics P. Ltd	58
Henan Tianfu Chemical Co.,Ltd.	55
BOC Sciences	58
Chongqing Chemdad Co., Ltd	58
CONIER CHEM AND PHARMA LIMITED	58
career henan chemical co	58
Hebei Mojin Biotechnology Co., Ltd	58

Simeprevir Spectrum

Simeprevir(923604-59-5)¹HNMR

923604-59-5(Simeprevir)Related Search:

Bictegravir Elbasvir Cidofovir Darunavir Bictegravir Sodium

Etravirine Simeprevir sodium Atazanavir

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(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 (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 Simeprevir(TMC 435350) TMC435 (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-quinolinyloxy-5-methyl-4,14-dioxocyclopentaccyclopropag1,6diazacyclotetradecine-12a(1H)-carboxami (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]diazacyclotetrad JTZZSQYMACOLNN-JMSVMWJJSA-N (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carb CS-954 TMC435350 (Simeprevir) PubChem ID: 24873435 Simeprevir-13C-d3 Simeprevir (sodium salt) (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 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-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)- Simeprevir (1.0mg/ml in DMSO) (1R,4R,6S,15R,17R)-N-(cyclopropanesulfonyl)-17-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.0,4,6]octadec-7-ene-4-carboxamide (2R,3aR,11aS,12aR,14aR,Z)-N-(Cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide 923604-59-5 C38H47N5O7S2 API