2. Anti-infection Metabolic Enzyme/Protease
  3. HBV Cytochrome P450
  4. 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.

For research use only. We do not sell to patients.

HBV-IN-57

HBV-IN-57 Chemical Structure

CAS No. : 3049354-73-3

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HBV-IN-57 Related Antibodies

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CYP1 CYP2 CYP3 CYP4 CYP11 CYP17 Aromatase/CYP19A1 CYP26 CYP51 CYP1A2 CYP2D6 CYP2C9 CYP2C19 CYP3A CYP3A4 CYP17A1

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Description

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[1].

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.

HBV-IN-57 Related Antibodies
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 (Compound 14bc) (40-2000 mg/kg; p.o.; daily; 2 days) shows no noticeable toxicity in male SPF grade mice at oral doses up to 2000 mg/kg, with a maximum tolerated dose greater than 2000 mg/kg[1].
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.

Animal Model: SPF grade mice (Male; 6-8 weeks old)[1]
Dosage: 40 mg/kg; 100 mg/kg ; 300 mg/kg; 800 mg/kg; 2000 mg/kg
Administration: p.o.; daily; 2 days
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.
Animal Model: BALB/c (Female)[1]
Dosage: 1 mg/kg (i.v.); 10 mg/kg (p.o.)
Administration: p.o. or i.v.; single dose
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.
Animal Model: Sprague-Dawley (Male)[1]
Dosage: 1 mg/kg (i.v.); 10 mg/kg (p.o.)
Administration: p.o. or i.v.; single dose
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.
Molecular Weight

442.39

Formula

C18H14F4N4O3S
CAS No.
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
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
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HBV-IN-57 Related Classifications

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Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

HBV-IN-573049354-73-3HBVCytochrome P450Hepatitis B virusCYPsHBV genotypes B/CCYP3A4-M enzymesHBV capsid assembly modulatorCYP2C19HBV capsid proteinHepG2.2.15 cellsHBV DNA replicationhERG channelhuman liver microsomal CYP3A4-Tprimary human hepatocytesInhibitorinhibitorinhibit

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