HBV-IN-54
HBV-IN-54 is a selective and orally active HBV inhibitor. HBV-IN-54 exhibits anti-HBV activity in both HepAD38 cells (EC50 = 0.020 μM, CC50 > 100 μM) and HLCZ01 cells (EC50 = 0.024 μM, CC50 > 100 μM). HBV-IN-54 inhibits viral replication in vivo. HBV-IN-54 displays favorable physicochemical properties and high plasma stability. HBV-IN-54 can be used for research on Hepatitis B (HBV).
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- Fòrmula: C22H26F2N4O2S
- Peso molecular:448.53
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Almacenamiento:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Actividad biológica
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Chemical Information
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Actividad biológica
Descripciòn
In Vitro
HBV-IN-54 (compound 35a) binds stably to the HBV core protein, retaining hydrogen bonds with Trp-102, Thr-128, and Leu-140. HBV-IN-54 forms interactions with Ser-106, Thr-142, and Asn-136[1].
HBV-IN-54 (6 days) suppresses HBV DNA replication with EC50 of 0.02 μM, CC50 of > 100 μM and SI of > 5000 in the HepAD38 cell Line[1].
HBV-IN-54 (0.3-100 μM, 6 days) suppresses HBV DNA replication with an EC50 of approximately 0.024 μM in HLCZ01 cell Line[1].
HBV-IN-54 (1 mg/mL, 0-60 min) has stability in human liver microsomes with T1/2 = 30.8 min , CLint = 22.5 μL/min/mg protein, MPPGL = 48.8 mg protein/g tissue, OW = 25.7 g tissue/kg body weight, CLint, sce = 28.2 mL/min/kg[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:HLCZ01 Cells
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Concentration:0.3 μM, 10 μM, 30 μM, and 100 μM
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Incubation Time:3 days
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Result:Exhibited minimal cytotoxicity at a concentration of 100 μM (inhibition rate 8.02%) and suppressed HBV DNA replication in a dose-dependent manner.
Parmacokinetics
| Species | Dose | Route | T1/2 | C0 | AUC0-t | AUC0-∞ | Vz | CL | MRT0-t | MRT0-∞ | Vss | Tmax | Cmax | F |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Rat | 1 mg/mL | i.v. | 2.6 h | 1005.53 ng/mL | 766.2 ng·h/mL | 772.84 ng·h/mL | 4.88 L/kg | 1.30 L/h/kg | 1.09 h | 1.21 h | 1.56 L/kg | / | / | / |
| Rat | 5 mg/kg | p.o. | 1.69 h | / | 1847.17 ng·h/mL | 1861.03 ng·h/mL | 6.57 L/kg | 2.69 L/h/kg | 2.53 h | 2.62 h | / | 1 h | 560.33 ng/mL | 48.22 % |
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:pAAV-HBV1.2 plasmid (6 μg, i.v., once)-induced male C57BL/6J mice (6 week-old)[1]
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Dosage:25 mg/kg
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Administration:i.g., once daily for 21 days , blood samples were collected every 3 days
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Result:Reduced serum HBV DNA levels by 1.88 log10 IU/mL.
Reduced the number of HBcAg-positive cells by 40%.
Did not induce obvious drug-induced liver injury.
Chemical Information
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Peso molecular 448.53
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Fòrmula C22H26F2N4O2S
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SMILES
CC1=C(C=C(C(F)=C1)NC(N2CCN(CC2)CCO)=S)C(NC3=CC(C)=C(C=C3)F)=O
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureza y Documentación
Referencias
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
HBV-IN-54 Related Classifications
HY-179393 Related Classifications
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