Description
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.
Product information
CAS Number: 2305897-84-9
Molecular Weight: 479.89
Formula: C24H19ClFN5O3
Chemical Name: 4-[(4-{5-chloro-6-[(2,3-dihydroxypropyl)amino]-2-fluoropyridin-3-yl}-1-oxo-1,2-dihydrophthalazin-2-yl)methyl]benzonitrile
Smiles: N#CC1=CC=C(CN2N=C(C3=CC(Cl)=C(NCC(O)CO)N=C3F)C3=CC=CC=C3C2=O)C=C1
InChiKey: WTCNPITUIDRZKR-UHFFFAOYSA-N
InChi: InChI=1S/C24H19ClFN5O3/c25-20-9-19(22(26)29-23(20)28-11-16(33)13-32)21-17-3-1-2-4-18(17)24(34)31(30-21)12-15-7-5-14(10-27)6-8-15/h1-9,16,32-33H,11-13H2,(H,28,29)
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Solubility: DMSO : 100 mg/mL (208.38 mM; Need ultrasonic).
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
How to use
In Vitro:
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.
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. 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.
Products are for research use only. Not for human use.
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