| Identification | Back Directory | [Name]
Benzonitrile, 4-[[4-[5-chloro-6-[(2,3-dihydroxypropyl)amino]-2-fluoro-3-pyridinyl]-1-oxo-2(1H)-phthalazinyl]methyl]- | [CAS]
2305897-84-9 | [Synonyms]
HBV-IN-4
Benzonitrile, 4-[[4-[5-chloro-6-[(2,3-dihydroxypropyl)amino]-2-fluoro-3-pyridinyl]-1-oxo-2(1H)-phthalazinyl]methyl]- | [Molecular Formula]
C24 H19 Cl F N5 O3 | [MDL Number]
MFCD33023218 | [MOL File]
2305897-84-9.mol | [Molecular Weight]
479.89 |
| Chemical Properties | Back Directory | [Boiling point ]
776.1±70.0 °C(Predicted) | [density ]
1.45±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 100 mg/mL (208.38 mM; Need ultrasonic) | [form ]
Solid | [pka]
13.61±0.20(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
HBV-IN-4, a phthalazinone derivative, is a potent and orally active HBV DNA replication inhibitor with an IC50 of 14 nM. HBV-IN-4 induces the formation of genome-free capsids and has potent anti-HBV potencies[1]. | [Biological Activity]
HBV-IN-4, a phthalazinone derivative, is a potent and orally active HBV DNA replication inhibitor with an IC50 of 14 nM. HBV-IN-4 induces the formation of genome-free capsids and has potent anti-HBV potencies[1].
HBV-IN-4 (compound 19f; 0-1 μM; 8 days) treatment inhibits the various forms (relaxed circular [rc] and single-stranded [ss] HBV DNA) in a dose-dependent manner in HepG2.2.15 cells. HBV-IN-4 treatment could also reduce capsidassociated DNAs dose-dependently. HBV-IN-4 could induce the formation of genome-free capsids, including a phenotype of faster-migrating ones[1].
HBV-IN-4 (Compound 19f; 50-150 mg/kg; oral administration; twice a day; for 4 weeks; Balb/c male mice) treatment achieves 2.67 log viral load reduction in AAV-HBV/mouse model[1].HBV-IN-4 (compound 19f) exhibits favorable drug characteristics with low plasma clearance (CL=4.1 mL/min/kg), excellent drug exposure (AUC0-t=49 744 h?ng/L), T1/2 (2.15 hours) and oral bioavailability (F=60.4%) using 20 mg/kg oral administration in mice. HBV-IN-4 also shows good distribution in liver exposure[1]. | [in vivo]
HBV-IN-4 (Compound 19f; 50-150 mg/kg; oral administration; twice a day; for 4 weeks; Balb/c male mice) treatment achieves 2.67 log viral load reduction in AAV-HBV/mouse model[1].
HBV-IN-4 (compound 19f) exhibits favorable drug characteristics with low plasma clearance (CL=4.1 mL/min/kg), excellent drug exposure (AUC0-t=49 744 h?ng/L), T1/2 (2.15 hours) and oral bioavailability (F=60.4%) using 20 mg/kg oral administration in mice. HBV-IN-4 also shows good distribution in liver exposure[1]. | Animal Model: | Balb/c male mice (8-week-old) injected with a recombinant adenoassociated virus (AAV[1] | | Dosage: | 50 mg/kg, 150 mg/kg | | Administration: | Oral administration; twice a day; for 4 weeks | | Result: | Resulted in a 2.67 log reduction of the HBV DNA viral load during a 4-week treatment.
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| [References]
[1]. Wuhong Chen, et al. Discovery of Phthalazinone Derivatives as Novel Hepatitis B Virus Capsid Inhibitors. J Med Chem. 2020 Jul 21. |
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