HBV-IN-57
HBV-IN-57 is an orally active HBV inhibitor with pan-genotypic efficacy against HBV genotypes B/C. HBV-IN-57 inhibits HBV DNA replication and HBV capsid assembly. HBV-IN-57 can be used for the research of chronic hepatitis B.
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- CAS No.: 3049354-73-3
- Formule: C18H14F4N4O3S
- Masse moléculaire:442.39
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Stockage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Activité biologique
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Chemical Information
- Pureté et documentation
- Références
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Help & FAQs
Activité biologique
Description
IC50 & Target
[1]|
CYP2C19 16.5 μM (IC50) |
In Vitro
HBV-IN-57 (Compound 14bc) (72 h) potently inhibits HBV DNA replication in HepG2.2.15 cells with an EC50 of 6.47 nM and maintains high cell viability with a CC50 >2000 nM[1].
HBV-IN-57 exhibits pan-genotypic potent inhibition of HBV DNA replication in genotype B and C cell models, with EC50 values ranging from 1.82 to 5.46 nM[1].
HBV-IN-57 potently inhibits HBV DNA replication and cccDNA-derived antigen expression in primary human hepatocytes, with an HBV DNA EC50 of 21.41 nM and a CC50 >10,000 nM[1].
HBV-IN-57 shows high metabolic stability in human liver microsomes, with a T1/2 >240 min and CLH of 3.79 mL/min/kg[1].
HBV-IN-57 (1 μM) has high plasma protein binding affinity, exceeding 97.5% across human, rat, and mouse plasma[1].
HBV-IN-57 has a low risk of drug-drug interactions, with no inhibition of CYP3A4-T/CYP3A4-M at up to 30 μM and an IC50 of 16.5 μM for CYP2C19 inhibition[1].
HBV-IN-57 has a favorable cardiac safety profile, with weak hERG channel inhibition (IC50 >10 μM)[1].
HBV-IN-57 (72 h) has a favorable cytotoxicity profile, with GI50 values >50 μM across seven mammalian cell lines[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Parmacokinetics
| Species | Dose | Route | AUC0-∞ | AUClast | CL | Cmax | MRT0-∞ | T1/2 | Tmax | Vd | F | Bioavailability |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mice[1] | 10 mg/kg | p.o. | 30759 ng·h/mL | 29767 ng·h/mL | / | 1060 ng/mL | 19.4 h | 20.1 h | 8.00 h | / | 64.3 % | / |
| Mice[1] | 1 mg/kg | i.v. | 5063 ng·h/mL | 4776 ng·h/mL | 201 mL/h/kg | 849 ng/mL | 10.4 h | 8.47 h | 0.08 h | 2.37 L/kg | / | / |
| Rat[1] | 10 mg/kg | p.o. | 4684 ng·h/mL | 5618 ng·h/mL | / | 343 ng/mL | 11.4 h | 7.73 h | 4.67 h | / | / | 14.07 % |
| Rat[1] | 1 mg/kg | i.v. | 5005 ng·h/mL | 4676 ng·h/mL | 203 mL/h/kg | 1247 ng/mL | 9.50 h | 8.52 h | 0.08 h | 2.49 L/kg | / | / |
In Vivo
HBV-IN-57 (1-30 mg/kg; p.o. or i.v.; single dose) exhibits favorable oral pharmacokinetic properties in female BALB/c mice, including high systemic exposure, prolonged half-life, high oral bioavailability, and preferential accumulation in the liver[1].
HBV-IN-57 (1-15 mg/kg; p.o. or i.v.; single dose) demonstrates preferential hepatic accumulation and moderate oral bioavailability in male Sprague-Dawley rats, with favorable intravenous pharmacokinetic parameters[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:SPF grade mice (Male; 6-8 weeks old)[1]
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Dosage:40 mg/kg; 100 mg/kg ; 300 mg/kg; 800 mg/kg; 2000 mg/kg
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Administration:p.o.; daily; 2 days
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Result:Showed no significant toxic effects in any dose group based on clinical signs or body weight changes.
Determined the maximum tolerated dose to be more than 2000 mg/kg.
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Animal Model:BALB/c (Female)[1]
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Dosage:1 mg/kg (i.v.); 10 mg/kg (p.o.)
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Administration:p.o. or i.v.; single dose
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Result:Achieved an AUClast of 29767 ng·h/mL, Cmax of 1060 ng/mL, Tmax of 8.00 h, T1/2 of 20.1 h, and oral bioavailability of 64.3% at 10 mg/kg p.o.
Reached a liver-to-plasma AUC ratio of 4.86, brain-to-plasma AUC ratio of 0.15, and Tmax of 8.00 h for all measured tissues at 30 mg/kg p.o.
Had a T1/2 of 8.47 h, Cmax of 849 ng/mL, Vd of 2.37 L/kg, and MRTinf of 10.4 h at 1 mg/kg i.v.
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Animal Model:Sprague-Dawley (Male)[1]
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Dosage:1 mg/kg (i.v.); 10 mg/kg (p.o.)
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Administration:p.o. or i.v.; single dose
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Result:Reached a liver-to-plasma AUC ratio of 15.59, brain-to-plasma AUC ratio of 0.05, plasma Tmax of 2.00 h, and liver Tmax of 3.33 h at 15 mg/kg p.o.
Had an AUClast of 5618 ng·h/mL, Cmax of 343 ng/mL, Tmax of 4.67 h, and oral bioavailability of 14.07% at 10 mg/kg p.o.
Had a T1/2 of 8.52 h, Cmax of 1247 ng/mL, Vd of 2.49 L/kg, and MRTinf of 9.50 h at 1 mg/kg i.v.
Chemical Information
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CAS No. 3049354-73-3
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Masse moléculaire 442.39
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Formule C18H14F4N4O3S
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SMILES
CC1=C(SC(N)=C1C(NC2=CC(C#N)=C(C=C2)F)=O)C(C(N[C@H](C(F)(F)F)C)=O)=O
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureté et documentation
Références
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
HBV-IN-57 Related Classifications
HY-183260 Related Classifications
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