| Description | BAY 41-4109 racemate is a potent inhibitor of human hepatitis B virus (HBV) with an IC50 of 53 nM. |
| In vitro | BAY 41-4109能够在体外加速并误导衣壳组装。对于已形成的衣壳，BAY 41-4109通过每两个二聚体配一个抑制剂分子的比率进行稳定[2]。在HepG2.2.15细胞中，BAY 41-4109同样有效地抑制HBV DNA释放和细胞质中的HBcAg水平，IC50分别为32.6和132 nM。HBV DNA和HBcAg的抑制呈剂量依赖性，表明抗HBV机制与HBcAg抑制速率有关且依赖于此[3]。 |
| In vivo | BAY 41-4109在剂量依赖的方式下能够有效降低肝脏和血浆中的病毒DNA，其效果与3TC相当。此外，BAY 41-4109亦能在HBV基因转移小鼠的肝脏中降低乙型肝炎病毒核心抗原(HBcAg)水平。在小鼠中进行的药动学研究显示，该化合物吸收迅速，生物利用度为30%，并且在大鼠和狗中的血浆浓度随剂量增加而成比例增加，约为60%[1]。BAY41-4109通过针对病毒衣壳的机制，有效抑制了体内的病毒产生[2]。 |
| Cell experiments | Cellular metabolism is evaluated by MTT colorimetry. HepG2.2.15 cells are plated at a density of 2 × 103 cells per well in 96-well plates. After 8 d of treatment with different concentrations of each antiviral compound, 20 μL of MTT solution (5 g/L) are added to each well and incubated at 37°C for 4 h. Next, 150 μL of DMSO is added and stirred for 10 min to dissolve the crystals. Absorbance values are recorded at 490 nm by using an ELISA reader. The MTT values are calculated using the curve regression equation[3]. |
| Target activity | HBV:53 nM. |
| molecular weight | 395.76 |
| Molecular formula | C18H13ClF3N3O2 |
| CAS | 298708-79-9 |
| Storage | Powder: -20°C for 3 years | In solvent: -80°C for 1 year |
| Solubility | DMSO: 50 mg/mL (126.34 mM) |
| References | 1. Weber O, et al. Inhibition of human hepatitis B virus (HBV) by a novel non-nucleosidic compound in a transgenic mouse model. Antiviral Res. 2002 May;54(2):69-78. 2. Stray SJ, et al. BAY 41-4109 has multiple effects on Hepatitis B virus capsid assembly. J Mol Recognit. 2006 Nov-Dec;19(6):542-8. 3. Wu GY, et al. Inhibition of hepatitis B virus replication by Bay 41-4109 and its association with nucleocapsid disassembly. J Chemother. 2008 Aug;20(4):458-67. |