BAY707)
| 中文名称 | BAY707) |
|---|---|
| 中文同义词 | 化合物 T14509 |
| 英文名称 | BAY707) |
| 英文同义词 | BAY-707 (BAY 707;BAY707);1H-Pyrrolo[2,3-b]pyridine-2-carboxamide, N-ethyl-4-[(3S)-3-methyl-4-morpholinyl]-;BAY-707 free base |
| CAS号 | 2109805-96-9 |
| 分子式 | C15H20N4O2 |
| 分子量 | 288.34 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 2109805-96-9.mol |
| 结构式 |  |
BAY707) 性质
| 密度 | 1.225±0.06 g/cm3(Predicted) |
|---|---|
| 储存条件 | Store at -20°C |
| 溶解度 | DMSO:28.83(最大浓度 mg/mL);100.0(最大浓度 mM) 乙醇:2.88(最大浓度 mg/mL);10.0(最大浓度 mM) |
| 酸度系数(pKa) | 14.36±0.40(Predicted) |
IC50:2.3 nM (MTH1/NUDT1)
BAY-707 demonstrates a superior cellular target engagement with an EC 50 of 7.6 nM, in agreement with its higher enzymatic potency (IC 50 =2.3 nM). BAY-707 demonstrates a high cell permeability cell permeability in the Caco-2 assay with a efflux ratio of 288 nm/s. BAY-707 shows an overall favorable physicochemical profile and promising in vitro pharmacokinetic properties with high metabolic stability in both human microsomes(0.29L/h/kg,F max =78%) and rat hepatocytes (0.54L/h/kg,F max =87%) . BAY-707 (0-30 μM; 24 hours) has no antiproliferative effects in HMEC, HeLa and SW-480 cells.
Bay-077 (orally adminstation; 50-250 mg/kg; 2 weeks) exhibits superior biochemical potency, cellular target engagement, and a pharmacokinetic profile to other MTH1 tool compounds, But Bay-077 exerts no anticancer efficacy either in mono- or in combination therapies in CT26 and NCI-H460 mice model. BAY-707 (orally adminstation; 50-250 mg/kg; 2 weeks) is well-tolerated in nude mice, after 7-days treatment, body weight loss does not exceed 10% .