2109805-96-9

中文名称 BAY707)

英文名称 BAY707)

CAS 2109805-96-9

分子式 C15H20N4O2

分子量 288.34

MOL 文件 2109805-96-9.mol

2109805-96-9 结构式

基本信息物理化学性质安全数据常见问题列表

基本信息

中文别名

化合物 T14509

英文别名

BAY707)
BAY-707 (BAY 707
BAY-707 free base
1H-Pyrrolo[2,3-b]pyridine-2-carboxamide, N-ethyl-4-[(3S)-3-methyl-4-morpholinyl]-

物理化学性质

密度1.225±0.06 g/cm3(Predicted)

储存条件-20°C储存

溶解度DMSO:28.83(Max Conc. mg/mL);100.0(Max Conc. mM)
Ethanol:2.88(Max Conc. mg/mL);10.0(Max Conc. mM)

酸度系数(pKa)14.36±0.40(Predicted)

形态Solid

颜色Light yellow to khaki

安全数据

危险性符号(GHS) GHS hazard pictograms

GHS07

警示词警告

危险性描述H302-H315-H319-H335

防范说明P261-P305+P351+P338

常见问题列表

生物活性

BAY-707 是 MTH1(NUDT1) 的底物竞争性，高效选择性抑制剂，IC50 值为 2.3 nM。 BAY-707 与其他 MTH1 化合物相比具有良好的药代动力学特征，并且在小鼠中具有良好的耐受性，但实验明显缺乏体外或体内抗癌功效。

靶点

IC50:2.3 nM (MTH1/NUDT1)

体外研究

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.

体内研究

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% .