2. Anti-infection
    Metabolic Enzyme/Protease
    Cell Cycle/DNA Damage
  3. HCV
    HCV Protease
    SARS-CoV
    DNA/RNA Synthesis
  4. Simeprevir

Simeprevir  (Synonyms: TMC435; TMC435350)

Cat. No.: HY-10241 Purity: 99.90%
COA Handling Instructions

Simeprevir (TMC435; TMC435350) is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM. Simeprevir inhibits HCV replication with an EC50 of 7.8 nM. Simeprevir also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir inhibits the main protease (Mpro) and the RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2, and also modulates host immune responses.

For research use only. We do not sell to patients.

Simeprevir Chemical Structure

Simeprevir Chemical Structure

CAS No. : 923604-59-5

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Customer Review

Based on 40 publication(s) in Google Scholar

Other Forms of Simeprevir:

Top Publications Citing Use of Products

35 Publications Citing Use of MCE Simeprevir

WB

    Simeprevir purchased from MCE. Usage Cited in: Eur J Med Chem. 2018 Jan 1;143:1053-1065.  [Abstract]

    Huh7.5 cells are infected with HCV and simultaneously treated with 7f (10 μM) or DAA (0.04 μM Simeprevir, 0.08 μM Sofosbuvir, or 16 pM Daclatasvir) or 7f plus DAA.

    Simeprevir purchased from MCE. Usage Cited in: Biomed Res Int. 2017;2017:1236801.  [Abstract]

    Huh7.5 (HCV+) cells are treated with 1 μM of Simeprevir or solvent control. At 24 hours, the cells are washed and continuously incubated with fresh culture media containing drugs again for 48 hours. The cultural supernatants are then harvested and directly incubated to naïve Huh7.5 cells. After been passaged 1~3 times, the newly infected cells are treated with 1 μM of Simeprevir for 72 hours. Intracellular proteins are extracted and detected with WB.

    Simeprevir purchased from MCE. Usage Cited in: J Med Chem. 2016 Nov 23;59(22):10268-10284.  [Abstract]

    Huh7.5 cells are infected with HCV (45 IU/cell) and simultaneously treated with Simeprevir (A, 0.025 μM), Sofosbuvir (B, 0.1 μM), or Daclatasvir (C, 16 pM) alone or with 1 (6.25 μM).

    Simeprevir purchased from MCE. Usage Cited in: Int J Radiat Oncol Biol Phys. 2016 Nov 15;96(4):867-876.  [Abstract]

    Simeprevir inhibits DNA damage repair following irradiation. U251, BT474, and HepG2 cells are pretreated with Simeprevir or DMSO and irradiated at a dose of 6 Gy. After 6 hours, prolongation of γH2AX foci is detected in Simeprevir-treated cells along with decreased phosphorylation of DNA-PKcs, indicating impaired nonhomologous end-joining repair.

    Simeprevir purchased from MCE. Usage Cited in: College of Medicine/School of Medicine. Seoul National University. 2016 Aug.

    Pharmacologic inhibition of PI4KIIIα using Simeprevir increases the radiosensitivity in U251 cells.

    • Biological Activity

    • Purity & Documentation

    • References

    • Customer Review

    Description

    Simeprevir (TMC435; TMC435350) is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM. Simeprevir inhibits HCV replication with an EC50 of 7.8 nM. Simeprevir also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir inhibits the main protease (Mpro) and the RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2, and also modulates host immune responses[1][4].

    IC50 & Target

    Ki: 0.36 nM (HCV NS3/4A protease)[1]
    EC50: 7.8 nM (HCV replication)[1]
    IC50: 9.6±2.3 μM (SARS-CoV-2 Mpro), 5.5±0.2 μM (SARS-CoV-2 RdRp)[4]
    In Vitro

    Simeprevir (TMC435) inhibits HCV in a dose-dependent manner in Huh7-Luc cells, with EC50 and EC90 values of 8 nM and 24 nM, respectively[2].
    Simeprevir (TMC435) inhibits NS3/4A proteases from HCV genotypes 1 to 6 with IC50s of 1/0.9/7/30/1.5/2.2/1.6 nM for 1a/1b/2b/3a/4/5/6, respectively[3].
    Simeprevir inhibits SARS-CoV-2 in Vero E6 cells with IC50s of 9.6±2.3 μM and 5.5±0.2 μM for Mpro and RdRp, respectively[4].

    MCE has not independently confirmed the accuracy of these methods. They are for reference only.
    In Vivo

    Simeprevir (TMC435) has moderate terminal elimination half-life (t1/2=1.5 h and 4.1 h for rat (3 mg/kg, p.o.), monkey (3 mg/kg, p.o.))[3].
    Simeprevir (TMC435350) exhibits a medium-slow rate of absorption, well distribution with the high concentration observed in the liver, and a low clearance[1].
    Pharmacokinetic Parameters of Simeprevir (TMC435350) in male Sprague-Dawley rats[1].

    IV (2 mg/kg) PO (10 mg/kg)
    CL (L/h/kg) 0.505
    Vdss (h) 0.49
    AUC0-24 (μM·h) 5.21 2.79
    Cmax (μM) 0.73
    Tmax (h) 3.0
    T1/2 (h) 2.8
    F (%) 11
    Liver/plasma ratio at 6 h 63.5 32

    MCE has not independently confirmed the accuracy of these methods. They are for reference only.

    Animal Model: Sprague-Dawley (SD) rats and cynomolgus monkeys[3]
    Dosage: 3 mg/kg
    Administration: Oral administration
    Result: Time at which peak concentration (Tmax) of 1 hour and 2 hour for rat and monkey, respectively.
    Concentration at 24 h after dosing (C24 h) of 0.9 and 2.3 ng/mL for rat and monkey, respectively.
    AUC0-24h=1173 and1409 ng • h/mL for rat and monkey, respectively.
    Clinical Trial
    Molecular Weight

    749.94

    Appearance

    Solid

    Formula

    C38H47N5O7S2
    CAS No.
    SMILES

    COC1=C(C)C2=C(C(O[[email protected]]3C[[email protected]@H](C(N(C)CCCC/C=C\[[email protected]](C4)[[email protected]]4(C(NS(=O)(C5CC5)=O)=O)N6)=O)[[email protected]](C6=O)C3)=CC(C7=NC(C(C)C)=CS7)=N2)C=C1
    Shipping

    Room temperature in continental US; may vary elsewhere.
    Storage
    Powder -20°C 3 years
    4°C 2 years
    In solvent -80°C 6 months
    -20°C 1 month
    Solvent & Solubility
    In Vitro: 

    DMSO : 14.29 mg/mL (19.05 mM; Need ultrasonic)

    Preparing
    Stock Solutions
    Concentration Solvent Mass 1 mg 5 mg 10 mg
    1 mM 1.3334 mL 6.6672 mL 13.3344 mL
    5 mM 0.2667 mL 1.3334 mL 2.6669 mL
    10 mM 0.1333 mL 0.6667 mL 1.3334 mL
    *Please refer to the solubility information to select the appropriate solvent.
    In Vivo:
    • 1.

      Add each solvent one by one:  5% DMSO    40% PEG300    5% Tween-80    50% saline

      Solubility: 2.5 mg/mL (3.33 mM); Suspended solution; Need ultrasonic

    • 2.

      Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% saline

      Solubility: ≥ 1.43 mg/mL (1.91 mM); Clear solution

    • 3.

      Add each solvent one by one:  10% DMSO    90% corn oil

      Solubility: ≥ 1.43 mg/mL (1.91 mM); Clear solution

    *All of the co-solvents are available by MCE.
    Purity & Documentation
    References
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    Help & FAQs
    • Do most proteins show cross-species activity?

      Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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    Keywords:

    Simeprevir923604-59-5TMC435 TMC435350TMC 435TMC-435TMC435350TMC 435350TMC-435350HCVHCV ProteaseSARS-CoVDNA/RNA SynthesisHepatitis C virusSARS coronavirusVirus replicationRemdesivirRNA-dependent RNA polymeraseRdRpimmune responsesHuh7-LucInhibitorinhibitorinhibit

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