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Cat. No. M2554
TMC435350 Structure


Size Price Availability Quantity
5mg USD 130.5  USD145 In stock
10mg USD 211.5  USD235 In stock
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Quality Control
  • Current batch:
  • Purity >98%
  • COA
  • MSDS
Biological Activity

TMC435350 (Simeprevir) is an oral HCV NS3/4A protease inhibitor. TMC435350 inhibited HCV replication in a cellular assay (subgenomic 1b replicon) with a half-maximal effective concentration (EC(50)) of 8 nM and a selectivity index of 5,875. In rats, TMC435350 was extensively distributed to the liver and intestinal tract (tissue/plasma area under the concentration-time curve ratios of >35), and the absolute bioavailability was 44% after a single oral administration. TMC435350 also displayed low in vitro clearance and high permeability, which were confirmed by in vivo pharmacokinetic studies. Data from phase I and II clinical trials of TMC-435350 (Simeprevir) have shown that TMC435350 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.

Conversion of different model animals based on BSA (Value based on data from FDA Draft Guidelines)
Species Mouse Rat Rabbit Guinea pig Hamster Dog
Weight (kg) 0.02 0.15 1.8 0.4 0.08 10
Body Surface Area (m2) 0.007 0.025 0.15 0.05 0.02 0.5
Km factor 3 6 12 8 5 20
Animal A (mg/kg) = Animal B (mg/kg) multiplied by  Animal B Km
Animal A Km

For example, to modify the dose of Compound A used for a mouse (20 mg/kg) to a dose based on the BSA for a rat, multiply 20 mg/kg by the Km factor for a mouse and then divide by the Km factor for a rat. This calculation results in a rat equivalent dose for Compound A of 10 mg/kg.

Chemical Information
Molecular Weight 749.94
Formula C38H47N5O7S2
CAS Number 923604-59-5
Purity >98%
Solubility DMSO
Storage at -20°C

Molecular modeling study on the resistance mechanism of HCV NS3/4A serine protease mutants R155K, A156V and D168A to TMC435.
Xue W, et al. Antiviral Res. 2012 Jan;93(1):126-37. PMID: 22127068.

Rapid viral response of once-daily TMC435 plus pegylated interferon/ribavirin in hepatitis C genotype-1 patients: a randomized trial.
Manns M, et al. Antivir Ther. 2011;16(7):1021-33. PMID: 22024518.

In vitro activity and preclinical profile of TMC435350, a potent hepatitis C virus protease inhibitor.
Lin TI, et al. Antimicrob Agents Chemother. 2009 Apr;53(4):1377-85. PMID: 19171797.

Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350.
Raboisson P, et al. Bioorg Med Chem Lett. 2008 Sep 1;18(17):4853-8. PMID: 18678486.

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Abmole Inhibitor Catalog 2017

Keywords: TMC435350, Simeprevir supplier, HCV Protease, inhibitors

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