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.
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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]. |
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 |
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 |