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Simeprevir Chemical Structure

Simeprevir

Data Sheet For research use only. Not for human use.
Cat. No. :BCP07504CAS No. :923604-59-5Purity:98%
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  • Publications Citing of Biochempartner's Simeprevir
  • Chemical Properties&Biological Activity
CAS No. 923604-59-5 Cat. No. BCP07504
Name Simeprevir
Synonyms TMC435350; TMC435; TMC-435350;TMC-435;TMC 435;TMC 435350;TMC435350;Olysio;
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
Chemical Name
Formula C38H47N5O7S2 M. Wt 749.94
Purity 98% Storage Store at 4-8°C
Description Simeprevir is an orally bioavailable inhibitor of the hepatitis C virus (HCV) protease complex comprised of non-structural protein 3 and 4A (NS3/NS4A), with activity against HCV genotype 1. Upon administration, simeprevir reversibly binds to the active center and binding site of the HCV NS3/NS4A protease and prevents NS3/NS4A protease-mediated polyprotein maturation. This disrupts both the processing of viral proteins and the formation of the viral replication complex, which inhibits viral replication in HCV genotype 1-infected host cells. NS3, a serine protease, is essential for the proteolytic cleavage of multiple sites within the HCV polyprotein and plays a key role during HCV ribonucleic acid (RNA) replication. NS4A is an activating factor for NS3. HCV is a small, enveloped, single-stranded RNA virus belonging to the Flaviviridae family; HCV infection is associated with the development of hepatocellular carcinoma (HCC).
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