Simeprevir西咪匹韦,923604-59-5

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Simeprevir

CAS No. : 923604-59-5

MCE 国际站：Simeprevir

产品活性：Simeprevir (TMC435; TMC435350) 是一种有效、高特异性且具有口服活性的丙型肝炎病毒 (HCV) NS3/4A蛋白酶抑制剂，K_i 值为 0.36 nM，并抑制 HCV 复制，EC₅₀ 值为 7.8 nM。Simeprevir 还能有效抑制 SARS-CoV-2 的复制，并与瑞德西韦 (Remdesivir) 具有协同作用。Simeprevir 可抑制 SARS-CoV-2 的主要蛋白酶 (M^pro) 和 RNA 依赖性 RNA 聚合酶 (RdRp)，并调节宿主免疫反应。

研究领域：Anti-infection  |  Metabolic Enzyme/Protease  |  Cell Cycle/DNA Damage

作用靶点：HCV  |  HCV Protease  |  SARS-CoV  |  DNA/RNA Synthesis

In Vitro: Simeprevir (TMC435) inhibits HCV in a dose-dependent manner in Huh7-Luc cells, with EC₅₀ and EC₉₀ values of 8 nM and 24 nM, respectively.
Simeprevir (TMC435) inhibits NS3/4A proteases from HCV genotypes 1 to 6 with IC₅₀s of 1/0.9/7/30/1.5/2.2/1.6 nM for 1a/1b/2b/3a/4/5/6, respectively.
Simeprevir inhibits SARS-CoV-2 in Vero E6 cells with IC₅₀s of 9.6±2.3 μM and 5.5±0.2 μM for M^pro and RdRp, respectively.

In Vivo: Simeprevir (TMC435) has moderate terminal elimination half-life (t_1/2=1.5 h and 4.1 h for rat (3 mg/kg, p.o.), monkey (3 mg/kg, p.o.)).
Simeprevir (TMC435350) exhibits a medium-slow rate of absorption, well distribution with the high concentration observed in the liver, and a low clearance.
Pharmacokinetic Parameters of Simeprevir (TMC435350) in male Sprague-Dawley rats.

	IV (2 mg/kg)	PO (10 mg/kg)
CL (L/h/kg)	0.505
Vdss (h)	0.49
AUC0-24 (μM·h)	5.21	2.79
Cmax (μM)		0.73
Tmax (h)		3.0
T1/2 (h)		2.8
F (%)		11
Liver/plasma ratio at 6 h	63.5	32

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