| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
The target of Coblopasvir diHCl is the hepatitis C virus non-structural protein 5A (NS5A). NS5A is a viral protein essential for HCV replication and assembly. Inhibition of NS5A blocks viral RNA replication and virion production. Coblopasvir is a pan-genotypic inhibitor, meaning it is effective against multiple HCV genotypes.
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|---|---|
| ln Vitro |
In vitro, Coblopasvir inhibits viral replication of HCV genotypes 1a, 1b, 3a, 4a, 5a, and 6a in cellular assays and genotype 2a in a cell-free assay. It is a pan-genotypic NS5A inhibitor with broad activity against various HCV strains. The compound shows potent antiviral activity in cell-based replication assays.
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| ln Vivo |
In vivo, Coblopasvir diHCl is being developed for the treatment of chronic hepatitis C virus infection. It has been studied in clinical trials for HCV treatment. However, specific in vivo efficacy data in animal models are not detailed in the provided literature.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay for Coblopasvir involves measuring its binding affinity to the NS5A protein and its ability to inhibit NS5A function. Cell-free assays using purified NS5A or replicon systems are used to assess its antiviral activity against genotype 2a. Binding affinity and inhibition of NS5A’s role in RNA replication are key readouts.
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| Cell Assay |
In vitro cell-based assays for Coblopasvir involve infecting cells with HCV or using subgenomic replicon systems that replicate HCV RNA. The compound is added to the cells, and viral RNA levels are measured by qRT-PCR to determine the EC50 values against various HCV genotypes. Cytotoxicity is also assessed to determine the therapeutic window.
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| Animal Protocol |
In vivo animal studies for Coblopasvir would likely involve HCV mouse models, such as humanized liver chimeric mice infected with HCV. Treated animals would be monitored for viral load reduction and liver function. The compound is being developed for clinical use in humans.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Coblopasvir diHCl are not detailed in the provided literature. As an oral antiviral agent, it is expected to have favorable oral bioavailability and systemic exposure. The dihydrochloride salt form is used to enhance solubility and stability.
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| Toxicity/Toxicokinetics |
No specific toxicity data for Coblopasvir diHCl are available in the provided literature. As a clinical candidate, it would have undergone preclinical toxicology studies. The compound is for research use only and not for human therapeutic applications at the research stage.
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| References | |
| Additional Infomation |
Coblopasvir diHCl is a pangenotypic NS5A inhibitor for chronic HCV infection. It was developed in China. The compound is available for research purposes only. Its CAS number is 1966138-53-3.
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| Molecular Formula |
C41H52CL2N8O8
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|---|---|
| Molecular Weight |
855.81
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| Exact Mass |
854.328
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| CAS # |
1966138-53-3
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| Related CAS # |
Coblopasvir;1312608-46-0
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| PubChem CID |
141537347
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
59
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| Complexity |
1410
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C(N1CCC[C@H]1C1=NC=C(C2C=CC(C3C=CC(C4=CN=C([C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)OC)N4)=CC=3)=C3OCOC=23)N1)(=O)[C@H](C(C)C)NC(=O)OC.Cl.Cl
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| InChi Key |
NQXPKJCTLPFQIS-KJIUXTSNSA-N
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| InChi Code |
InChI=1S/C41H50N8O8.2ClH/c1-22(2)32(46-40(52)54-5)38(50)48-17-7-9-30(48)36-42-19-28(44-36)25-13-11-24(12-14-25)26-15-16-27(35-34(26)56-21-57-35)29-20-43-37(45-29)31-10-8-18-49(31)39(51)33(23(3)4)47-41(53)55-6;;/h11-16,19-20,22-23,30-33H,7-10,17-18,21H2,1-6H3,(H,42,44)(H,43,45)(H,46,52)(H,47,53);2*1H/t30-,31-,32-,33-;;/m0../s1
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| Chemical Name |
methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-benzodioxol-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;dihydrochloride
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~58.42 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.92 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (2.92 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1685 mL | 5.8424 mL | 11.6848 mL | |
| 5 mM | 0.2337 mL | 1.1685 mL | 2.3370 mL | |
| 10 mM | 0.1168 mL | 0.5842 mL | 1.1685 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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