Description:
Simeprevir plays an important role in HCV replication. Data from phase I and II clinical trials of TMC-435350 (TMC 435350; TMC 435; TMC-435350) to date have shown that this agent is well tolerated as a once-daily oral therapy and provides potent antiviral activity in HCV genotype 1-infected subjects, with restoration of liver enzymes and no evidence of viral breakthrough.
- Molecular Weight: 749.942
- Molecular Formula: C38H47N5O7S2
Purity: 98%
Canonical 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
InChI:
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,41,44)(H,42,46)/b10-8-/t23-,24+,27+,28?,38+/m0/s1
InChIKey: JTZZSQYMACOLNN-MEMJXIAGSA-N
- Solubility: In vitro: 10 mM in DMSO
- Appearance: White to off-white (Solid)
- Storage: Powder: -20°C: 3 years4°C: 2 yearsIn solvent: -80°C: 6 months-20°C: 1 month
Synonyms:
TMC435; TMC 435; TMC-435; TMC435350; TMC-435350; TMC 435350
More details are to be found on supplier website
