Catalog No.: A11580

HCV NS3/4A protease inhibitor


Simeprevir Chemical Structure

CAS NO. 923604-59-5

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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Biological Activity

Simeprevir is a potent inhibitor of HCV NS3/4A protease (Ki = 0.36 nM) and viral replication (replicon EC50 = 7.8 nM).
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
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.

Catalog Num A11580
Actions Inhibitor
CAS No. 923604-59-5
Formula C38H47N5O7S2
M. Wt 749.96
Purity >98%
Synonyms TMC435, TMC435350, TMC-435350
SMILES COC1=CC=C(C(O[[email protected]]2CC(C(N(C)CCCC/C=C\[[email protected]]3C[[email protected]@]3(C(NS(=O)(C4CC4)=O)=O)NC5=O)=O)[[email protected]]5C2)=CC(C6=NC(C(C)C)=CS6)=N7)C7=C1C

Store lyophilized at -20ºC, keep desiccated.
In lyophilized form, the chemical is stable for 36 months.
In solution, store at -20ºC and use within 3 months to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.

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