Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear (Warmed)
storage temp.
-10 to -25°C
SMILES string
[S](=O)(=O)(NC(=O)[C@]32NC(=O)[C@H]4[C@@H](C[C@@H](C4)Oc5c6c(nc(c5)c7[s]cc(n7)C(C)C)c(c(cc6)OC)C)C(=O)N(CCCC\C=C/[C@@H]3C2)C)C1CC1
InChI
1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,4
InChI key
JTZZSQYMACOLNN-VDWJNHBNSA-N
Biochem/physiol Actions
Orally active, potent and selective hepatitis C virus (HCV) NS3 protease inhibitor.
Simeprevir (TMC435; TMC435350) is an orally active, potent and selective hepatitis C virus (HCV) NS3/4A serine protease inhibitor (Ki = 0.5/0.4 nM using genotype 1a (H77)/1b (con1b) protease domain) that effectively blocks HCV replication (EC50/EC90 = 8/24 nM post 72h treatment using Huh7-Luc HCV genotype 1b replicon reporter cell line), while exhibiting no inhibitory potency against a panel of non-HCV DNA and RNA viruses even at concentrations >10 µM.
Simeprevir (TMC435; TMC435350) is an orally active, potent and selective hepatitis C virus (HCV) NS3/4A serine protease inhibitor (Ki = 0.5/0.4 nM using genotype 1a (H77)/1b (con1b) protease domain) that effectively blocks HCV replication (EC50/EC90 = 8/24 nM post 72h treatment using Huh7-Luc HCV genotype 1b replicon reporter cell line), while exhibiting no inhibitory potency against a panel of non-HCV DNA and RNA viruses even at concentrations >10 µM.
signalword
Warning
hcodes
Hazard Classifications
Aquatic Chronic 4 - Eye Irrit. 2 - Repr. 2
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable