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Simeprevir

Simeprevir

产品编号 T4686   CAS 923604-59-5
别名: TMC435, 西咪匹韦, TMC-435350, Olysio

Simeprevir (TMC435) 是一种有效的 HCV NS3/4A 蛋白酶抑制剂,抑制 HCV 复制,EC50 为 7.8 nM。它也是 SARS-CoV-2 3CLpro 抑制剂。

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Simeprevir Chemical Structure
Simeprevir, CAS 923604-59-5
规格 价格/CNY 货期 数量
2 mg ¥ 415 现货
5 mg ¥ 835 现货
10 mg ¥ 1,255 现货
25 mg ¥ 2,515 现货
50 mg ¥ 3,775 现货
1 mL * 10 mM (in DMSO) ¥ 1,311 现货
其他形式的 Simeprevir:
千万补贴 助力科研
BCA蛋白浓度测定试剂盒限时半价
MG-132限时半价
产品目录号及名称: Simeprevir (T4686)
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纯度: 99.77%
纯度: 99.61%
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生物活性
化学信息
存储 & 溶解度
参考文献
产品描述 Simeprevir (TMC435) is a potent HCV NS3/4A protease inhibitor, and inhibits HCV replication with EC50 of 8 nM.
靶点活性 HCV:8 nM (EC50)
体外活性 In Huh7-Luc cells, antiviral activity of simeprevir (TMC435350) is dose dependent, and the EC50 and EC90 values determined for TMC435350 are 8 nM and 24 nM, respectively. Inhibition of TMC435350 on NS3/4A protease is time dependent, and the overall Kis are estimated to be 0.5 nM for genotype 1a and 0.4 nM for genotype 1b, respectively. TMC435350 is a potent inhibitor of HCV NS3/4A protease (Ki=0.36 nM) and viral replication (replicon EC50=7.8 nM).
体内活性 In rats, TMC435350 (40 mg/kg, p.o.) is extensively distributed to the liver and intestinal tract (tissue/plasma area under the concentration-time curve ratios of >35), and the absolute bioavailability is 44%.
激酶实验 In vitro inhibition of NS3/4A activity is determined using a fluorescence resonance energy transfer cleavage assay with the RetS1 peptide substrate, derived from the genotype 1a NS4A-4B junction, and bacterially expressed full-length NS3 protease domain, supplemented with an NS4A peptide. Briefly, NS3/4A is preincubated in the presence of TMC435350 for 10 min, and then the RetS1 substrate is added and fluorescence is continuously measured for 20 min (excitation, 355 nm; emission, 500 nm). Cleavage of the substrate is expressed as a percentage of the cleavage seen with the vehicle control.
细胞实验 Huh7-Luc cells are seeded at a density of 2,500 cells/well in a 384-well plate in Dulbecco's modified Eagle's medium plus 10% fetal calf serum and incubated with a range of concentrations of serially diluted simeprevir, in a final DMSO concentration of 0.5% in the absence of G418. After 72 h of incubation, Steady Lite reagent is added in a 1:1 ratio to the medium, and luciferase signal is measured using a ViewLux reader.
动物实验 Twenty-four male specific-pathogen-free Sprague-Dawley rats, weighing between 200 and 300 g at the time of dosing, are divided into eight groups of three rats each. Seven groups are dosed orally (p.o.) by gastric intubation of a vitamin E acetate-d-α-tocopheryl polyethylene glycol 1000 succinate-polyethylene glycol 400 solution of Simeprevir (TMC435350) at 2 mL/kg body weight to provide a dose of 40 mg/kg. One group is dosed intravenously (i.v.) by slow bolus injection in a tail vein of a 20% 2-hydroxypropyl-β-cyclodextrin formulation of TMC435350 (containing TMC435350, 100 mg/mL 2-hydroxypropyl-β-cyclodextrin, 0.1 N NaOH to pH 8.0±0.1, and mannitol-and pyrogen-free water) at 2 mL/kg body weight to provide a dose of 4 mg/kg. Water and food are available ad libitum during the study.
别名 TMC435, 西咪匹韦, TMC-435350, Olysio
分子量 749.94
分子式 C38H47N5O7S2
CAS No. 923604-59-5

存储

Powder: -20°C for 3 years | In solvent: -80°C for 1 year

溶解度

DMSO: 55 mg/mL (73.34 mM)

H2O: Insoluble

溶液配制表

可选溶剂 浓度 体积 质量 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 1.3334 mL 6.6672 mL 13.3344 mL 33.336 mL
5 mM 0.2667 mL 1.3334 mL 2.6669 mL 6.6672 mL
10 mM 0.1333 mL 0.6667 mL 1.3334 mL 3.3336 mL
20 mM 0.0667 mL 0.3334 mL 0.6667 mL 1.6668 mL
50 mM 0.0267 mL 0.1333 mL 0.2667 mL 0.6667 mL

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TargetMol Library Books参考文献

1. Lin TI, 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. Epub 2009 Jan 26. 2. Raboisson P, 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. Zhang X, et al. Discovery and evolution of aloperine derivatives as a new family of HCV inhibitors with novel mechanism. Eur J Med Chem. 2018 Jan 1;143:1053-1065.
MK-0608 Sulochrin RO-9187 Lycorine hydrochloride Sofosbuvir impurity K NM107 Oglufanide 2′-O-Methylcytidine

相关化合物库

该产品包含在如下化合物库中:
抑制剂库 EMA 上市药物库 药物功能重定位化合物库 已知活性化合物库 人代谢物化合物库 蛋白酶抑制剂库 肝脏毒性化合物库 抗感染化合物库 大环化合物库 FDA 上市药物库

TargetMol Calculator剂量换算

对于不同动物的给药剂量换算,您也可以参考 更多...

TargetMol Calculator 体内实验配液计算器

请在以下方框中输入您的动物实验信息后点击计算,可以得到母液配置方法和体内配方的制备方法: 比如您的给药剂量是10 mg/kg,每只动物体重20 g,给药体积100 μL,一共给药动物10 只,您使用的配方为5% DMSO+30% PEG300+5% Tween 80+60% ddH2O。那么您的工作液浓度为2 mg/mL。

母液配置方法:2 mg 药物溶于 50 μL DMSO (母液浓度为 40 mg/mL), 如您需要配置的浓度超过该产品的溶解度,请先与我们联系。

体内配方的制备方法:取 50 μL DMSO 主液,加入 300 μL PEG300, 混匀澄清,再加 50 μL Tween 80,混匀澄清,再加 600 μL ddH2O, 混匀澄清。

第一步:请输入动物实验的基本信息
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第二步:请输入动物体内配方组成,不同的产品配方组成不同,如有配方需求,可先联系我们提供正确的体内配方。
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技术支持

您可能有的问题的答案可以在抑制剂处理说明中找到,包括如何准备库存溶液,如何存储产品,以及基于细胞的分析和动物实验需要特别注意的问题。

Keywords

Simeprevir 923604-59-5 Microbiology/Virology Proteases/Proteasome HCV Protease SARS-CoV TMC435 Virus replication TMC 435 Hepatitis C virus TMC435350 西咪匹韦 immune responses inhibit HCV Remdesivir Huh7-Luc Inhibitor TMC 435350 RNA-dependent RNA polymerase SARS coronavirus TMC-435350 DNA/RNA Synthesis RdRp Olysio TMC-435 inhibitor

 

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