| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Nesbuvir targets HCV NS5B RNA-dependent RNA polymerase, the principal catalytic enzyme for HCV replication. It binds to the palm site II pocket of NS5B, a non-nucleoside binding site. By binding to this site, nesbuvir induces conformational changes that inhibit polymerase activity, preventing viral RNA synthesis. Resistance develops through substitutions in NS5B (C316Y, S282T) that decrease inhibitor-enzyme interaction.
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| ln Vitro |
G418 at a concentration of 1 mg/mL and mixtures of the two substances are used to treat replican cells. In a 3-day replicon inhibition assay, nesbuvir (HCV-796) is added at 40 or 80 nM (roughly 10 and 20 times the EC50), while boseprevir is added at 400 or 800 nM (roughly 2 and 4 times the EC50).The transient expression assay's EC50s for Nesbuvir and Boceprevir for the parental replicon are similar to those found in the 3-day inhibition assay using the stable replicon cells. Nesbuvir's EC50 is 14 nM in the transient expression assay, while it is 5 nM for the stable replicon, and Boceprevir's EC50 is 608 nM in the transient expression assay, compared to 201 nM for the stable replicon[1].
In vitro, nesbuvir is a selective NS5B polymerase inhibitor. It has potent and specific inhibitory effect against HCV RdRp, inhibiting RNA synthesis. The compound has been tested in Huh7.5 cell lines. Specific IC₅₀ values for NS5B inhibition and antiviral activity are documented in the literature. Nesbuvir shows potent anti-HCV activity in vitro. It is a synthetic compound with high purity. |
| ln Vivo |
Nesbuvir (HCV-796), a benzofurane derivative, is one of the many nucleoside and non-nucleoside inhibitors (NNI) that have not yet been fully characterized. It has been shown to produce notable antiviral effects in both patients and mice with hepatitis C virus infection. The "palm" domain of NS5B contains a hydrophobic binding pocket that HCV-796 binds to, although its mode of inhibition is still unknown[2].
In vivo, nesbuvir has been investigated for the treatment of hepatitis C virus infection. As a potent and selective NS5B polymerase inhibitor, it has the potential to reduce viral load in HCV-infected patients. The compound's efficacy has been evaluated in clinical studies. Resistance mutations in NS5B (C316Y, S282T) have been identified that reduce compound binding while maintaining replication competence. |
| Enzyme Assay |
NS5B polymerase inhibition assays are performed using purified HCV NS5B enzyme and appropriate RNA templates. Enzyme activity is measured by incorporation of radiolabeled nucleotides into newly synthesized RNA. Nesbuvir is tested at various concentrations, and IC₅₀ values are calculated. Binding affinity for the palm site II pocket is determined using surface plasmon resonance or isothermal titration calorimetry. Enzyme kinetics studies characterize the mechanism of inhibition.
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| Cell Assay |
In vitro antiviral assays are performed using Huh7.5 cell lines harboring HCV subgenomic replicons. Cells are treated with nesbuvir at various concentrations. Antiviral activity is assessed by measuring replicon RNA levels using quantitative RT-PCR or luciferase reporter assays. Cytotoxicity is assessed by MTT assay. EC₅₀ and CC₅₀ values are calculated from dose-response curves. The compound is dissolved in DMSO for stock solutions.
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| Animal Protocol |
In vivo efficacy is evaluated in animal models of HCV infection, including human hepatocyte chimeric mouse models. Nesbuvir is administered orally or intraperitoneally. Viral load is measured in serum by RT-qPCR. Liver tissues are collected for histopathological analysis and viral RNA quantification. Pharmacokinetic studies are conducted to determine plasma concentrations and tissue distribution. Clinical studies have been conducted to evaluate safety and efficacy.
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| ADME/Pharmacokinetics |
Nesbuvir has a molecular weight of 446.5 and molecular formula C₂₂H₂₃FN₂O₅S with CAS number 691852-58-1. It is a non-nucleoside polymerase inhibitor. The compound is soluble in DMSO at 5 mg/mL, with low solubility in water (<1 mg/mL) and ethanol (<1 mg/mL). It has a purity of 98%. Specific pharmacokinetic parameters are documented in the literature from clinical studies.
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| Toxicity/Toxicokinetics |
Specific toxicity data for nesbuvir are documented in preclinical and clinical studies. As an antiviral agent, its safety profile has been evaluated in clinical trials. Common adverse effects may include gastrointestinal disturbances and headache. The compound's safety profile is consistent with other NS5B polymerase inhibitors. Standard laboratory safety precautions should be followed when handling this compound. It is intended for research use only and not for human therapeutic applications.
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| References |
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| Additional Infomation |
Nesbuvir has been investigated for the treatment of hepatitis C. Nesbuvir is a non-nucleoside polymerase inhibitor active against hepatitis C virus (HCV). Nesbuvir binds to the palmar pocket II of the HCV NS5B polymerase, inhibiting viral genome replication.
Nesbuvir (HCV-796) is a non-nucleoside polymerase inhibitor that binds to the palm site II pocket of HCV NS5B polymerase and inhibits viral genome replication. It has been investigated for the treatment of hepatitis C virus infection. The compound has a different selectivity profile compared to the ALK inhibitor crizotinib. Resistance develops through substitutions in NS5B that reduce inhibitor-enzyme interaction. It is commercially available for research purposes only. |
| Molecular Formula |
C22H23FN2O5S
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|---|---|
| Molecular Weight |
446.4934
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| Exact Mass |
446.131
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| Elemental Analysis |
C, 59.18; H, 5.19; F, 4.26; N, 6.27; O, 17.92; S, 7.18
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| CAS # |
691852-58-1
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| PubChem CID |
11561383
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| Appearance |
White to off-white solid powder
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| LogP |
4.705
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
31
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| Complexity |
748
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1=C(C2=CC=C(F)C=C2)OC3=CC(N(CCO)S(=O)(C)=O)=C(C4CC4)C=C13)NC
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| InChi Key |
WTDWVLJJJOTABN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)
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| Chemical Name |
5-Cyclopropyl-2-(4-fluorophenyl)-6-((2-hydroxyethyl)(methylsulfonyl)amino)-N-methyl-1-benzofuran-3-carboxamide
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| Synonyms |
HCV-796; HCV 796; VB-19796 ; VB19796; HCV796; Nesbuvir.
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ≥ 50 mg/mL (~111.98 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.60 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.60 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.60 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.5 mg/mL (5.60 mM) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2397 mL | 11.1985 mL | 22.3969 mL | |
| 5 mM | 0.4479 mL | 2.2397 mL | 4.4794 mL | |
| 10 mM | 0.2240 mL | 1.1198 mL | 2.2397 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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