(E)-3-[4-[[5-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide | 1446713-15-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-[4-[[5-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
• CAS: 1446713-15-0
• 化学式: C₂₉H₂₂ClN₉O₂
• 分子量: 564.006
• InChiKey: YJGZXHQFSRVRLP-MDWZMJQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  150
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 盐酸羟胺 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以1.3 mg的产率得到(E)-3-[4-[[5-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
  参考文献：
  名称：

  Development of a Chimeric c-Src Kinase and HDAC Inhibitor

  摘要：

  On the basis of synergism observed between a selective c-Src kinase inhibitor with an HDAC inhibitor, the development of the first chimeric c-Src kinase and HDAC inhibitor is described. The optimized chimeric inhibitor is shown to be a potent c-Src and HDAC inhibitor. Chimeric inhibitor 4 is further shown to be highly efficacious in cancer cell lines and significantly more efficacious than a dual-targeting strategy using discrete c-Src and HDAC inhibitors.

  DOI：

  10.1021/ml400175d

文献信息

• Development of a Chimeric c-Src Kinase and HDAC Inhibitor
  作者：Kristin S. Ko、Michael E. Steffey、Kristoffer R. Brandvold、Matthew B. Soellner

  DOI：10.1021/ml400175d

  日期：2013.8.8

  On the basis of synergism observed between a selective c-Src kinase inhibitor with an HDAC inhibitor, the development of the first chimeric c-Src kinase and HDAC inhibitor is described. The optimized chimeric inhibitor is shown to be a potent c-Src and HDAC inhibitor. Chimeric inhibitor 4 is further shown to be highly efficacious in cancer cell lines and significantly more efficacious than a dual-targeting strategy using discrete c-Src and HDAC inhibitors.