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

Simeprevir sodium  (Synonyms: TMC435 sodium; TMC435350 sodium)

Cat. No.: HY-10241A
Handling Instructions

Simeprevir (TMC435; TMC435350) sodium is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM. Simeprevir sodium inhibits HCV replication with an EC50 of 7.8 nM. Simeprevir sodium also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir sodium 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 sodium Chemical Structure

Simeprevir sodium Chemical Structure

CAS No. : 1241946-89-3

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Top Publications Citing Use of Products

40 Publications Citing Use of MCE Simeprevir sodium

WB

    Simeprevir sodium purchased from MedChemExpress. 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 sodium purchased from MedChemExpress. 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 sodium purchased from MedChemExpress. 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 sodium purchased from MedChemExpress. 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 sodium purchased from MedChemExpress. 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.
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    Description

    Simeprevir (TMC435; TMC435350) sodium is an oral, potent and highly specific hepatitis C virus (HCV) NS3/4A protease inhibitor with a Ki of 0.36 nM. Simeprevir sodium inhibits HCV replication with an EC50 of 7.8 nM. Simeprevir sodium also potently suppresses SARS-CoV-2 replication and synergizes with Remdesivir. Simeprevir sodium 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 an IC50 of 9.6±2.3 μM and 5.5±0.2 μM for Mpro and RdRp, respectively[4].

    MedChemExpress (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

    MedChemExpress (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: PO; single dosage
    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 and 1409 ng·h/mL for rat and monkey, respectively.
    Clinical Trial
    Formula

    C38H47N5NaO7S2

    CAS No.
    SMILES

    O=S(NC([C@]12[C@@](/C=C\CCCCN(C([C@@]3([H])[C@](C[C@H](C3)OC4=CC(C5=NC(C(C)C)=CS5)=NC6=C4C=CC(OC)=C6C)([H])C(N2)=O)=O)C)([H])C1)=O)(C7CC7)=O.[Na].[x]

    Shipping

    Room temperature in continental US; may vary elsewhere.

    Storage

    Please store the product under the recommended conditions in the Certificate of Analysis.

    Purity & Documentation
    References
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      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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    Product Name:
    Simeprevir sodium
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