| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
EC50/EC95: 15.7 μM (HCV replicon)[1].
HCV-IN-31 targets the hepatitis C virus (HCV) replication machinery. As a nucleoside inhibitor, it is designed to disrupt key HCV replication pathways, enabling detailed dissection of RNA amplification processes. The compound's mechanism of action involves interfering with viral RNA synthesis. It is useful for confirming molecular nodes sensitive to replication-directed inhibition and for studying resistance mechanisms. Resistance can arise from mutations in the viral polymerase, reducing the drug's ability to inhibit viral replication. |
|---|---|
| ln Vitro |
In vitro, HCV-IN-31 exhibits antiviral activity by inhibiting the replication of the HCV replicon, with an EC50/EC95 of 15.7 µM. This activity is assessed in HCV replicon assays, where cells harboring a subgenomic HCV replicon are treated with the compound. The compound's moderate antiviral activity makes it useful for early-stage research into the HCV lifecycle and for antiviral screening. Its activity is also evaluated in viral RNA suppression quantification assays.
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| ln Vivo |
In vivo studies for HCV-IN-31 are not extensively detailed in the provided literature. As a research compound, its potential for in vivo applications would depend on its pharmacokinetic properties and antiviral efficacy. Studies in appropriate animal models would be needed to evaluate its in vivo efficacy, pharmacokinetics, and safety profile. It is primarily used as a tool compound for mechanistic antiviral studies and early-stage drug discovery.
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| Enzyme Assay |
For non-cellular enzyme/receptor binding studies, HCV-IN-31's activity is evaluated in HCV replicon assays. These assays typically use cells harboring a subgenomic HCV replicon that expresses a reporter gene. The cells are treated with varying concentrations of the compound, and the inhibition of replicon replication is measured by quantifying the reporter gene expression, providing EC50 values. This cell-based assay is the primary method for assessing the compound's antiviral activity.
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| Cell Assay |
For in vitro cellular experiments, HCV-IN-31 is tested in cell lines harboring the HCV replicon. Cells are cultured and treated with the compound at various concentrations. Viral replication is assessed by measuring the levels of HCV RNA or the activity of a reporter gene (such as luciferase) that is linked to viral replication. The EC50 is determined from the dose-response curve. Cytotoxicity is assessed in parallel using standard cell viability assays to determine the selectivity index.
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| Animal Protocol |
In vivo animal studies for HCV-IN-31 are not extensively documented. As a research compound for studying HCV replication, its in vivo evaluation would require appropriate animal models of HCV infection. The compound could be administered via an appropriate route, and its efficacy would be assessed by measuring viral load in the blood and liver. However, such studies are not detailed in the provided sources.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of HCV-IN-31 are not extensively detailed in the provided sources. It has a molecular weight of 312.30. It is a solid with good solubility in DMSO and should be stored at 2-8°C, protected from light. The compound is stable under these conditions. Its solubility in DMSO is up to approximately 60 mg/mL. Comprehensive pharmacokinetic studies are needed to fully characterize its ADME properties.
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| Toxicity/Toxicokinetics |
Toxicity data for HCV-IN-31 is not extensively detailed in the provided literature. As a research compound intended for laboratory use, standard safety precautions should be followed when handling it. It is not intended for human use. Its safety profile would be evaluated in the context of its development as an antiviral agent, but such data is not provided in the available sources.
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| References | |
| Additional Infomation |
HCV-IN-31 is a nucleoside inhibitor of hepatitis C virus (HCV) with a molecular formula of C12H17FN6O3 and a molecular weight of 312.30. It inhibits HCV replicon replication with an EC50/EC95 of 15.7 µM. The compound is a valuable research tool for studying the HCV lifecycle, viral RNA suppression, and resistance mechanisms. It is intended for research use only and is not for human therapeutic applications.
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| Molecular Formula |
C12H17FN6O3
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|---|---|
| Molecular Weight |
312.3002
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| Exact Mass |
312.134
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| CAS # |
1998705-62-6
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| Related CAS # |
Bemnifosbuvir hemisulfate;2241337-84-6;Bemnifosbuvir;1998705-64-8
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| PubChem CID |
122510185
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| Appearance |
White to off-white solid powder
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| LogP |
0.4
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
420
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| Defined Atom Stereocenter Count |
4
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| SMILES |
F[C@]1(C([H])([H])[H])[C@@]([H])([C@@]([H])(C([H])([H])O[H])O[C@@]1([H])N1C([H])=NC2=C(N([H])C([H])([H])[H])N=C(N([H])[H])N=C12)O[H]
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| InChi Key |
HPINXBYYNVDDEB-GSWPYSDESA-N
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| InChi Code |
InChI=1S/C12H17FN6O3/c1-12(13)7(21)5(3-20)22-10(12)19-4-16-6-8(15-2)17-11(14)18-9(6)19/h4-5,7,10,20-21H,3H2,1-2H3,(H3,14,15,17,18)/t5-,7-,10-,12-/m1/s1
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| Chemical Name |
(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : 60 mg/mL (192.12 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.01 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 (8.01 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 (8.01 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2020 mL | 16.0102 mL | 32.0205 mL | |
| 5 mM | 0.6404 mL | 3.2020 mL | 6.4041 mL | |
| 10 mM | 0.3202 mL | 1.6010 mL | 3.2020 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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