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Simeprevir

SKU: orb1302653

Description

Simeprevir (TMC435) is a small molecule NS3/4A protease inhibitor with potent anti-HCV activity, demonstrating an EC50 of 8 nM in replication assays. It has been widely used in both in vitro and in vivo research to study hepatitis C virus inhibition and combination antiviral therapies.

Research Area

Cell Biology, Infectious Disease & Virology, Molecular Biology, Protein Biochemistry

Images & Validation

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Simeprevir

Key Properties

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CAS Number923604-59-5
MW749.94
Purity99.92% (May vary between batches)
FormulaC38H47N5O7S2
SMILESCOc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C
TargetHCV Protease,DNA/RNA Synthesis,SARS-CoV
SolubilityH2O:Insoluble;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.33 mM);DMSO:55 mg/mL (73.34 mM)

Bioactivity

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Target IC50
HCV:8 nM (EC50)
In Vivo
In rats, TMC435350 (40 mg/kg, p.o.) is extensively distributed to the liver and intestinal tract (tissue/plasma area under the concentration-time curve ratios of >35), and the absolute bioavailability is 44%.
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In Vitro
In Huh7-Luc cells, antiviral activity of simeprevir (Simeprevir) is dose dependent, and the EC50 and EC90 values determined for Simeprevir are 8 nM and 24 nM, respectively. Inhibition of Simeprevir on NS3/4A protease is time dependent, and the overall Kis are estimated to be 0.5 nM for genotype 1a and 0.4 nM for genotype 1b, respectively. Simeprevir is a potent inhibitor of HCV NS3/4A protease (Ki=0.36 nM) and viral replication (replicon EC50=7.8 nM).
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Cell Research
Huh7-Luc cells are seeded at a density of 2,500 cells/well in a 384-well plate in Dulbecco's modified Eagle's medium plus 10% fetal calf serum and incubated with a range of concentrations of serially diluted simeprevir, in a final DMSO concentration of 0.5% in the absence of G418. After 72 h of incubation, Steady Lite reagent is added in a 1:1 ratio to the medium, and luciferase signal is measured using a ViewLux reader.
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Animal Research
Twenty-four male specific-pathogen-free Sprague-Dawley rats, weighing between 200 and 300 g at the time of dosing, are divided into eight groups of three rats each. Seven groups are dosed orally (p.o.) by gastric intubation of a vitamin E acetate-d-α-tocopheryl polyethylene glycol 1000 succinate-polyethylene glycol 400 solution of Simeprevir (TMC435350) at 2 mL/kg body weight to provide a dose of 40 mg/kg. One group is dosed intravenously (i.v.) by slow bolus injection in a tail vein of a 20% 2-hydroxypropyl-β-cyclodextrin formulation of TMC435350 (containing TMC435350, 100 mg/mL 2-hydroxypropyl-β-cyclodextrin, 0.1 N NaOH to pH 8.0±0.1, and mannitol-and pyrogen-free water) at 2 mL/kg body weight to provide a dose of 4 mg/kg. Water and food are available ad libitum during the study.
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Storage & Handling

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Storagestore at low temperature | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Expiration Date12 months from date of receipt.
DisclaimerFor research use only

Alternative Names

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DNA/RNA Synthesis, Huh7-Luc, Hepatitis C virus, HCV NS3/4A protease, HCV, HCVProtease, HCV Protease, Inhibitor, immune responses, inhibit, Olysio, Virus replication, RNA-dependent RNA polymerase, Remdesivir, SARSCoV, SARS-CoV, SARS coronavirus, Simeprevir, TMC 435, TMC 435350, TMC-435350, TMC435, TMC435350, TMC-435, RdRp

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Quality Guarantee

Quality Guarantee

Explore bioreagents carefree to elevate your research. All our products are rigorously tested for performance. If a product does not perform as described on its datasheet, our scientific support team will provide expert troubleshooting, a prompt replacement, or a refund. For full details, please see our Terms & Conditions and Buying Guide. Contact us at support@biorbyt.com.

Compound Identifiers

PubChem CID
24873435 ↗

Key Properties

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No computed properties available.

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Simeprevir (orb1302653)

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% DMSO +
%+
% Tween 80 +
%

Available Sizes

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2 mg
$ 70.00
5 mg
$ 90.00
1 ml x 10 mM (in DMSO)
$ 110.00
10 mg
$ 110.00
25 mg
$ 130.00
50 mg
$ 170.00
100 mg
$ 240.00
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