Simeprevir
目录号: A11580
HCV NS3/4A protease inhibitor
西梅普瑞是一种强效的HCV NS3/4A 蛋白酶抑制剂(Ki = 0.36 nM)和病毒复制抑制剂(复制子 EC50 = 7.8 nM)。
Discription | Simeprevir is a potent inhibitor of HCV NS3/4A protease (Ki = 0.36 nM) and viral replication (replicon EC50 = 7.8 nM). | |||||
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Cell Research |
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目录号 | A11580 |
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分子式 | C38H47N5O7S2 |
分子量 | 749.96 |
CAS号 | 923604-59-5 |
SMILES | COC1=CC=C(C(O[C@H]2CC(C(N(C)CCCC/C=C\[C@H]3C[C@@]3(C(NS(=O)(C4CC4)=O)=O)NC5=O)=O)[C@H]5C2)=CC(C6=NC(C(C)C)=CS6)=N7)C7=C1C |
其他名称 | TMC435, TMC435350, TMC-435350 |
储存条件 | Store lyophilized at -20ºC, keep desiccated. |
In vitro | DMSO | 90 mg/mL (120.01 mM) | |
Water | Insoluble | ||
Ethanol | 4 mg/mL (5.33 mM) | ||
* <1 mg/ml means slightly soluble or insoluble. * Please note that Adooq tests the solubility of all compounds in-house, and the actual solubility may differ slightly from published values. This is normal and is due to slight batch-to-batch variations. |
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
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0.1 mM | 13.33 mL | 66.67 mL | 133.34 mL |
0.5 mM | 2.67 mL | 13.33 mL | 26.67 mL |
1 mM | 1.33 mL | 6.67 mL | 13.33 mL |
5 mM | 0.27 mL | 1.33 mL | 2.67 mL |
Calculate the dilution required to prepare a stock solution. This equation is commonly abbreviated as: C1V1 = C2V2