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Simeprevir

Chemical Structure : Simeprevir

CAS No.: 923604-59-5

Simeprevir (TMC-435;TMC435;TMC435350;TMC-435350)

Catalog No.: PC-42480Not For Human Use, Lab Use Only.

A potent, orally available inhibitor of HCV NS3/4A protease with Ki of 0.36 nM, replicon EC50 of 7.8 nM.

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Purity & Documentation Purity: >98% (HPLC) Select Batch:

Biological Activity

A potent, orally available inhibitor of HCV NS3/4A protease with Ki of 0.36 nM, replicon EC50 of 7.8 nM; inhibits NS3/4A proteases of genotypes 1a and 1b with Ki of 0.5 and 0.4 nM, shows synergistic effect with α-Interferon and an NS5B inhibitor in the replicon model and additive with ribavirin; exerts favorable pharmacokinetic profile and antiviral activity in vivo.

HCV Infection

Approved

Physicochemical Properties

M.Wt 749.9391
Formula C38H47N5O7S2
Appearance Solid
CAS No.
Storage
Solide Powder
-20 °C 12 Months; 4°C 6 Months
In Solvent
-80 °C 6 Months; -20°C 6 Months
Shipping
Solubility

10 mM in DMSO

Chemical Name/SMILES

Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, N-(cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, (2R,3aR,1

References

1. Raboisson P, et al. Bioorg Med Chem Lett. 2008 Sep 1;18(17):4853-8.

2. Lin TI, et al. Antimicrob Agents Chemother. 2009 Apr;53(4):1377-85.

3. Lenz O, et al. Antimicrob Agents Chemother. 2010 May;54(5):1878-87.

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