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CAS RN 923604-59-5

CAS RN 923604-59-5

IUPAC Name: —
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Medchem Express Simeprevir, MedChemExpress

MedChemExpress Simeprevir (TMC435; TMC435350) is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 749.94
Color Off-White
Physical Form Solid
Chemical Name or Material Simeprevir
Grade Research
SMILES COC1=C(C)C2=C(C(O[C@H]3C[C@@H](C(N(C)CCCC/C=C\[C@H](C4)[C@]4(C(NS(=O)(C5CC5)=O)=O)N6)=O)[C@H](C6=O)C3)=CC(C7=NC(C(C)C)=CS7)=N2)C=C1
For Use With (Application) COVID-19-anti-virus
Percent Purity 99.46%
CAS 923604-59-5
Solubility Information DMSO : 14.29 mg/mL (19.05 mM; Need ultrasonic)
Synonym TMC435 TMC435350
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C38H47N5O7S2
Formula Weight 749.94

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