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1241946-89-3

1241946-89-3 Structure

1241946-89-3 Structure
IdentificationBack Directory
[Name]

Simeprevir sodium
[CAS]

1241946-89-3
[Synonyms]

Olysio
Simeprevir sodium
TMC 435 sodium salt
[Molecular Formula]

C38H47N5O7S2.x(Na)
[MDL Number]

MFCD30724946
[MOL File]

1241946-89-3.mol
[Molecular Weight]

773.94
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:30.0(Max Conc. mg/mL);38.86(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.33(Max Conc. mg/mL);0.43(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);38.86(Max Conc. mM)
[form ]

A crystalline solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H334-H317-H341-H361-H370-H335-H413
[Precautionary statements ]

P201-P202-P260-P264-P270-P272-P273-P280-P284-P301+P312-P302+P352-P304+P341-P305+P351+P338-P310-P308+P313-P321-P330-P362+P364-P333+P313-P342+P311-P363-P405-P501
Hazard InformationBack Directory
[Description]

Simeprevir is an orally bioavailable and potent inhibitor of the hepatitis C virus (HCV) nonstructural protein 3/4A (NS3/4A) protease (Ki = 0.36 nM), a serine protease essential for HCV replication. It inhibits HCV viral replication with an EC50 value of 7.8 nM in Huh7 replicon cells using a luciferase-based assay. Simeprevir is effective against the HCV genotypes 1a and 1b in biochemical assays. In Huh7 replicon cells, it is synergistically effective when used in combination with IFN-α or NM-107 and has an additive effect when used with ribavirin . Formulations containing simeprevir have been used, alone or in combination with pegylated IFN-α and ribavirin, for the treatment of HCV.
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