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Simeprevir/西咪匹韦 {[allProObj[0].p_purity_real_show]}

货号:A713692 同义名: TMC435350; TMC435

Simeprevir is an inhibitor of HCV NS3/4A protease with Ki of 0.36 nM and EC50 of 7.8 nM against viral replication.

Simeprevir/西咪匹韦 化学结构 CAS号:923604-59-5
Simeprevir/西咪匹韦 化学结构
CAS号:923604-59-5
Simeprevir/西咪匹韦 3D分子结构
CAS号:923604-59-5
Simeprevir/西咪匹韦 化学结构 CAS号:923604-59-5
Simeprevir/西咪匹韦 3D分子结构 CAS号:923604-59-5
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Simeprevir/西咪匹韦 纯度/质量文件 产品仅供科研

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Simeprevir/西咪匹韦 生物活性

描述 The hepatitis C virus (HCV) NS3/4A protease is a trypsin-like serine protease, which is essential for the generation of components of the viral RNA replication complex. Simeprevir is a single pill, oral HCV NS3/4A protease inhibitor, currently approved for the treatment of patients with HCV genotype 1 infection. Simeprevir exhibits potent inhibition of NS3/4A protease of genotypes 1a, 1b, 2, 4, 5, and 6, with IC50 <13 nM for all HCV NS3/4A enzymes. In replicon models, different genotype 1a and 1b replicons showed EC50 for simeprevir ranging from 8 nM to 28 nM. In vivo, simeprevir had a relatively long absorption phase, reaching maximum concentration (Cmax) after 4–6 hours. Moreover, simeprevir was extensively (99.9%) bound to plasma proteins, mainly to albumin. The absolute bioavailability was 44% after a single oral administration[3].

Simeprevir/西咪匹韦 参考文献

[1]Lin TI, Lenz O, et al. In vitro activity and preclinical profile of TMC435350, a potent hepatitis C virus protease inhibitor. Antimicrob Agents Chemother. 2009 Apr;53(4):1377-85.

[2]Raboisson P, de Kock H, et al. Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett. 2008 Sep 1;18(17):4853-8.

[3]Izquierdo L, Helle F, François C, Castelain S, Duverlie G, Brochot E. Simeprevir for the treatment of hepatitis C virus infection. Pharmgenomics Pers Med. 2014 Aug 14;7:241-9

Simeprevir/西咪匹韦 实验方案

计算器
存储液制备 1mg 5mg 10mg

1 mM

5 mM

10 mM

1.33mL

0.27mL

0.13mL

6.67mL

1.33mL

0.67mL

13.33mL

2.67mL

1.33mL

Simeprevir/西咪匹韦 技术信息

CAS号923604-59-5
分子式C38H47N5O7S2
分子量 749.94
SMILES Code C(NS(=O)(=O)C1CC1)(=O)[C@]23[C@@](C2)(/C=C\CCCCN(C)C(=O)[C@]4([C@](C(=O)N3)(C[C@@H](OC=5C6=C(N=C(C5)C7=NC(C(C)C)=CS7)C(C)=C(OC)C=C6)C4)[H])[H])[H]
MDL No. MFCD25563225
别名 TMC435350; TMC435
运输蓝冰
存储条件

In solvent -20°C:3-6个月-80°C:12个月

Pure form Sealed in dry, 2-8°C

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