Fig. 1 · Structure
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Simeprevir sodium
HCV NS3/4A Inhibitor
Simeprevir sodium is a potent inhibitor of the hepatitis C virus (HCV) NS3/4A protease, exhibiting a Ki of 0.36 nM and an EC50 for HCV replication of 7.8 nM. This compound also demonstrates significant antiviral activity against SARS-CoV-2 by inhibiting its main protease (Mpro) and RNA-dependent RNA polymerase (RdRp), and it enhances the efficacy of Remdesivir. Simeprevir sodium modulates host immune responses, making it a valuable tool for research into antiviral therapies for both HCV and SARS-CoV-2.
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Specifications
| Manufacturer | Adooq Bioscience |
|---|---|
| Actions | Inhibitor |
| CAS Number | 1241946-89-3 |
| Applications | HCV NS3/4A Inhibitor |
| Formula | C38H47N5NaO7S2 |
| Molecular Weight | 771.92 |
| Synonyms | TMC435 sodium; TMC435350 sodium |
| SMILES | O=S(NC([C@]12[C@@](/C=C\CCCCN(C([C@@]3([H])[C@](C[C@H](C3)OC4=CC(C5=NC(C(C)C)=CS5)=NC6=C4C=CC(OC)=C6C)([H])C(N2)=O)=O)C)([H])C1)=O)(C7CC7)=O.[Na] |
Storage & Solubility
In Vitro Solubility
Reported Solubility
No reported solubility data are available for this product.
Preparing Stock Solutions
| Concentration | |
|---|---|
Values use four significant digits. Prepare to the final solution volume; this is not the volume of solvent to add.
Stock preparation is unavailable for this product molecular weight.
Calculated stock concentrations do not establish solvent solubility. Refer to the reported solubility data for experimental guidance.
Storage
Store powder at -20°C, keep desiccated.
In powder form, the chemical is stable for 36 months.
In solution, store at -20°C and use within 1 month to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.