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| Targets |
JNJ-6379 targets the hepatitis B virus core protein (HBc) by binding to the hydrophobic pocket at the dimer-dimer interface of HBc subunits. As a capsid assembly modulator, it interferes with the assembly process of the HBV nucleocapsid. By accelerating capsid assembly and inducing the formation of empty capsids, JNJ-6379 prevents the production of infectious viral particles.
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| ln Vitro |
In vitro, JNJ-6379 is a potent capsid assembly modulator that accelerates HBV capsid assembly and induces the formation of morphologically intact viral capsids devoid of genomic material. It inhibits HBV replication in cell-based assays. The compound binds to the hydrophobic pocket at the dimer-dimer interface of HBV core protein subunits.
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| ln Vivo |
In vivo activity data for JNJ-6379 are not extensively detailed in the available literature. As a potent HBV capsid assembly modulator, the compound would be expected to inhibit HBV replication and reduce viral load in vivo. It is being developed as a novel antiviral therapy for hepatitis B infection.
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| Enzyme Assay |
Specific cell-free receptor binding assay protocols for JNJ-6379 involve binding assays with purified HBV core protein (HBc). The compound's ability to bind to the hydrophobic pocket at the dimer-dimer interface of HBc subunits is assessed using surface plasmon resonance or isothermal titration calorimetry. Capsid assembly modulation is assessed by electron microscopy or native gel electrophoresis.
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| Cell Assay |
In vitro cell-based assays for JNJ-6379 use HBV-infected hepatocyte cell lines or HBV-replicating cell models. Cells are treated with JNJ-6379, and viral replication is measured by quantifying HBV DNA, RNA, or antigen levels in culture supernatants. Capsid assembly is assessed by electron microscopy or capsid-specific assays.
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| Animal Protocol |
In vivo animal studies for JNJ-6379 have been conducted in HBV mouse models or other animal models of HBV infection. Animals are treated with JNJ-6379, and endpoints include viral load, liver histology, and biomarkers of HBV infection. The compound's antiviral efficacy and safety are assessed.
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| ADME/Pharmacokinetics |
JNJ-6379 (Bersacapavir) has a molecular formula of C18H17F4N5O3S and a molecular weight of approximately 459.42 g/mol. The chemical name is N-(3-cyano-4-fluorophenyl)-1-methyl-4-(((2S)-1,1,1-trifluoro-2-propanyl)sulfamoyl)-1H-pyrrole-2-carboxamide. The compound is metabolized by cytochrome P450 (CYP) 3A.
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| Toxicity/Toxicokinetics |
Specific toxicological data for JNJ-6379 are not extensively detailed in the available literature. The compound has been evaluated in preclinical studies for hepatitis B treatment. As a capsid assembly modulator, potential toxicities may relate to effects on host cell processes, though formal safety profiles are not extensively reported.
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| References | |
| Additional Infomation |
JNJ-6379 (CAS 1638266-40-6), also known as Bersacapavir or JNJ-56136379, is a potent HBV capsid assembly modulator that accelerates capsid assembly and induces the formation of empty capsids. It binds to the hydrophobic pocket at the dimer-dimer interface of HBc subunits and is being developed for hepatitis B treatment. No approved indication data are available.
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| Molecular Formula |
C16H14F4N4O3S
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|---|---|
| Molecular Weight |
418.3660
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| Exact Mass |
418.072
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| CAS # |
1638266-40-6
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| Related CAS # |
1638266-40-6 (free);Bersacapavir hydrate;
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| PubChem CID |
121294984
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| Appearance |
Light yellow to khaki solid powder
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| Density |
1.5±0.1 g/cm3
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| Index of Refraction |
1.575
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
730
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@@H](C(F)(F)F)NS(=O)(=O)C1=CN(C(=C1)C(=O)NC2=CC(=C(C=C2)F)C#N)C
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| InChi Key |
SBVBIDUKSBJYEF-VIFPVBQESA-N
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| InChi Code |
InChI=1S/C16H14F4N4O3S/c1-9(16(18,19)20)23-28(26,27)12-6-14(24(2)8-12)15(25)22-11-3-4-13(17)10(5-11)7-21/h3-6,8-9,23H,1-2H3,(H,22,25)/t9-/m0/s1
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| Chemical Name |
N-(3-cyano-4-fluorophenyl)-1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxamide
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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 : ~100 mg/mL (~239.02 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.98 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 | 2.3902 mL | 11.9511 mL | 23.9023 mL | |
| 5 mM | 0.4780 mL | 2.3902 mL | 4.7805 mL | |
| 10 mM | 0.2390 mL | 1.1951 mL | 2.3902 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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