298708-81-3
| 中文名稱 | 298708-81-3 |
|---|---|
| 中文同義詞 | 化合物 T10480L;化合物 BAY 41-4109;Bay 41-4109試劑;化合物:Bay 41-4109 (Bayer 41-4109);rno-miR-466b-2-3p mimicrno-miR-466b-2-3p 模擬物;化合物：Bay 41-4109 (Bayer 41-4109);Bay 41-4109試劑;rno-miR-466b-2-3p mimicrno-miR-466b-2-3p 模擬物 |
| 英文名稱 | Bay 41-4109 |
| 英文同義詞 | Bay 41-4109;methyl (R)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate;BAY41-4109; BAY-41-4109; BAYER 41-4109;Bayer 41-4109;5-Pyrimidinecarboxylic acid, 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-1,4-dihydro-6-methyl-, methyl ester, (4R)-;BAY-41-4109 (R-isomer);Bay 41 4109,Bay 414109;(±)-BAY 41-4109 |
| CAS號(hào) | 298708-81-3 |
| 分子式 | C18H13ClF3N3O2 |
| 分子量 | 395.76 |
| EINECS號(hào) | |
| 相關(guān)類別 | |
| Mol文件 | 298708-81-3.mol |
| 結(jié)構(gòu)式 |  |
298708-81-3 性質(zhì)
| 沸點(diǎn) | 475.3±45.0 °C(Predicted) |
|---|---|
| 密度 | 1.46±0.1 g/cm3(Predicted) |
| 儲(chǔ)存條件 | Store at -20°C |
| 溶解度 | DMSO：100 mg/mL (252.68 mM)；水：< 0.1 mg/mL（不溶） |
| 酸度系數(shù)(pKa) | 5.43±0.60(Predicted) |
| 形態(tài) | 固體 |
| 顏色 | 淺黃至黃色 |
| InChI | 1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)/t15-/m0/s1 |
| InChIKey | FVNJBPMQWSIGJK-HNNXBMFYSA-N |
| SMILES | CC1=C(C(OC)=O)[C@H](C2=C(Cl)C=C(F)C=C2)N=C(C3=NC=C(F)C=C3F)N1 |
IC50&Target: 53 nM (HBV)
BAY 41-4109 is able to both accelerate and misdirect capsid assembly in vitro . Preformed capsids are stabilized by BAY 41-4109, up to a ratio of one inhibitor molecule per two dimers. BAY 41-4109 is equally effective at inhibiting HBV DNA release and the cytoplasmic HBcAg level, with IC 50 s of 32.6 and 132 nM in HepG2.2.15 cells, respectively. HBV DNA and HBcAg are inhibited in a dose-dependent manner, indicating that the anti-HBV mechanisms are associated with and dependent on the rate of HBcAg inhibition.
BAY 41-4109 reduces viral DNA in the liver and in the plasma dose-dependently with efficacy comparable to 3TC. BAY 41 -4109 reduces hepatitis B virus core antigen (HBcAg) in livers of HBV-transgenic mice. Pharmacokinetic studies in mice have shown rapid absorption, a bioavailability of 30% and dose-proportional plasma concentrations, about 60% in rats and dogs.BAY41-4109 inhibits virus production in vivo by a mechanism that targets the viral capsid.
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存儲(chǔ)類別 | 11 - 可燃固體 |
| 更新日期 | 產(chǎn)品編號(hào) | 產(chǎn)品名稱 | CAS號(hào) | 包裝 | 價(jià)格 |
|---|---|---|---|---|---|
| 2026/06/05 | HY-100029 | 298708-81-3 Bay 41-4109 | 298708-81-3 | 5mg | 940元 |
| 2026/06/05 | HY-100029 | 298708-81-3 Bay 41-4109 | 298708-81-3 | 10 mM * 1 mLin DMSO | 1034元 |