CAS No. 923604-59-5
Batch:
Purity:99.99
Chemical Structure
Check the
Simeprevir
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| CAS Number | 923604-59-5 | |
|---|---|---|
| Molecular Formula |
C38H47N5O7S2 |
|
| Molecular Weight (MW) | 749.94 | |
| SMILES | CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC |
Simeprevir is a potent, competitive, and reversible macrocyclic hepatitis C virus (HCV) NS3/4A protease inhibitor that acts directly against HCV replication. It inhibits NS3/4A protease enzymes across multiple HCV genotypes, demonstrating an IC50 of <13 nM against genotypes 1a, 1b, 2, 4, 5, and 6, and an IC50 of 37 nM against genotype 3. By targeting the viral protease, Simeprevir blocks polyprotein cleavage, suppressing viral polyprotein processing and viral RNA replication. [1]
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
100 mg/mL
(133.34 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 4 mg/mL |
| Water | Insoluble |
| DMSO |
100 mg/mL
(133.34 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 5 mg/mL |
| Water | Insoluble |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.