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Simeprevir是HCV NS3/4A蛋白酶（Ki = 0.36 nM）和病毒复制（replicon EC50 = 7.8 nM）的有效抑制剂。
| 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. |
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| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 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 |
*The above data is based on the productmolecular weight 749.96. Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.
| 目录号 | A11580 |
|---|---|
| 作用机制 | Inhibitor (抑制剂) |
| M. Wt | 749.96 |
| Formula | C38H47N5O7S2 |
| Purity | >99% |
| Storage | Store lyophilized at -20ºC, keep desiccated. |
| CAS No. | 923604-59-5 |
| Synonyms | TMC435, TMC435350, TMC-435350 |
| 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 |
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