2220184-50-7
中文名稱
CDK12-IN-3
英文名稱
(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol
CAS
2220184-50-7
分子式
C23H28F2N8O
分子量
470.52
MOL 文件
2220184-50-7.mol
2220184-50-7 結(jié)構(gòu)式
基本信息
中文別名
化合物 T14990 英文別名
CMPD 7CDK12-IN-3
CDK12 inhibitor 3
2-Piperidineethanol, 1-[6-[[(6,7-difluoro-1H-benzimidazol-2-yl)methyl]amino]-9-(1-methylethyl)-9H-purin-2-yl]-, (2S)-
(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol
物理化學(xué)性質(zhì)
沸點(diǎn)772.7±70.0 °C(Predicted)
密度1.51±0.1 g/cm3(Predicted)
儲(chǔ)存條件-20°C儲(chǔ)存
溶解度DMSO: 250 mg/mL (531.33 mM)
酸度系數(shù)(pKa)8.79±0.30(Predicted)
形態(tài)Solid
顏色White to off-white
常見(jiàn)問(wèn)題列表
生物活性
CDK12-IN-3 是一種有效，選擇性的 CDK12 抑制劑，酶試驗(yàn)中 IC50 值為 491 nM。靶點(diǎn)
|
CDK12 491 nM (IC 50 ) |
體外研究
CDK12-IN-3 is a highly selective CDK12 inhibitor profiled across a panel of 352 kinases at 0.1 μM. CDK12-IN-3 shows potent inhibition of phosphorylation of Ser2 on the CTD repeat domain of RNA Pol II as well as growth inhibition of OV90 cells and acute cytotoxicity to THP1 cells.