同义名 :	TMC435350; TMC435
	CAS号 :	923604-59-5
	货号 :	A713692
	分子式 :	C38H47N5O7S2
	纯度 :	99%+
	分子量 :	749.94
	MDL号 :	MFCD25563225
	存储条件：	Pure form Sealed in dry, 2-8°C In solvent -20°C:3-6个月-80°C:12个月
	溶解度 :	-
	动物实验配方：

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].

实验方案
	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

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