1-[3-[1-([1,1'-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine
| 中文名称 | 1-[3-[1-([1,1'-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine |
|---|---|
| 中文同义词 | 化合物 T11745 |
| 英文名称 | 1-[3-[1-([1,1'-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine |
| 英文同义词 | 1-[3-[1-([1,1'-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine;KB SRC 4;KB SRC 4 (c-Src-IN-4);1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-[3-[1-([1,1'-biphenyl]-3-ylmethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)- |
| CAS号 | 1380088-03-8 |
| 分子式 | C32H23ClN8 |
| 分子量 | 555.03 |
| EINECS号 | |
| 相关类别 | Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Tyrosine Kinase Inhibitors;Aromatics, Heterocycles, Pharmaceuticals, Intermediates & Fine Chemicals, Tyrosine Kinase Inhibitors |
| Mol文件 | 1380088-03-8.mol |
| 结构式 | ![1-[3-[1-([1,1'-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine 结构式](CAS/GIF/1380088-03-8.gif) |
1-[3-[1-([1,1'-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine 性质
| 沸点 | 789.2±70.0 °C(Predicted) |
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| 密度 | 1.39±0.1 g/cm3(Predicted) |
| 储存条件 | Store at -20°C |
| 溶解度 | 在 DMSO 中溶解度为 20 mM |
| 形态 | 粉末 |
| 酸度系数(pKa) | 3.46±0.30(Predicted) |
| 颜色 | 浅棕色至棕色 |
1-[3-[1-([1,1'-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine 用途与合成方法
Ki: 44 nM (c-Src)
Kd: 86 nM (c-Src)
KB SRC 4 (Compound 4) is a potent, highly selective c-Src inhibitor, with a K i of 44 nM and a K d of 86 nM, and shows no inhibition on c-Abl up to 125 μM. KB SRC 4 is selective between Src family members, with >2-fold selectivity over both Lck (K d , 160 nM) and Fgr (K d , 240 nM), 8-fold selectivity over c-Yes (K d , 720 nM), and >40-fold selectivity over Lyn (K d , 3200 nM), Hck (K d , 4400 nM), and Fyn (K d , >40000 nM). KB SRC 4 inhibits the growth of cancer cell lines, with GI 50 s of 11 μM, 12 μM, 11 μM, 6.0 μM against HT-29, SK-BR-3, MCF7, MDA-MB-453, and NIH-3T3, respectively.