4-(2,2-diphenylethylidene)-3-methyl-1-(4-phenylthiazol-2-yl)-1H-1H-pyrazol-5(4H)-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2,2-diphenylethylidene)-3-methyl-1-(4-phenylthiazol-2-yl)-1H-1H-pyrazol-5(4H)-one
• 化学式: C₂₇H₂₁N₃OS
• 分子量: 435.549
• InChiKey: YNCKUVWUXFTUOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.29
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  45.56
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (4-苯基-2-噻唑)-肼 在 哌啶 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 4-(2,2-diphenylethylidene)-3-methyl-1-(4-phenylthiazol-2-yl)-1H-1H-pyrazol-5(4H)-one
  参考文献：
  名称：

  Structure-Based Lead Optimization and Biological Evaluation of BAX Direct Activators as Novel Potential Anticancer Agents

  摘要：

  The first direct activator of BAX, a pro-apoptotic member of the BCL-2 family, has been recently identified. Herein, a structure-based lead optimization turned out into a small series of analogues, where 8 is the most potent compound published so far. 8 was used as pharmacological tool to ascertain, for the first time, the anticancer potential of BAX direct activators and the obtained results would suggest that BAX direct activators are potential future anticancer drugs rather than venoms.

  DOI：

  10.1021/jm501123r

文献信息

• Structure-Based Lead Optimization and Biological Evaluation of BAX Direct Activators as Novel Potential Anticancer Agents
  作者：Mariano Stornaiuolo、Giuseppe La Regina、Sara Passacantilli、Gianluca Grassia、Antonio Coluccia、Valeria La Pietra、Mariateresa Giustiniano、Hilde Cassese、Salvatore Di Maro、Diego Brancaccio、Sabrina Taliani、Armando Ialenti、Romano Silvestri、Claudia Martini、Ettore Novellino、Luciana Marinelli

  DOI：10.1021/jm501123r

  日期：2015.3.12

  The first direct activator of BAX, a pro-apoptotic member of the BCL-2 family, has been recently identified. Herein, a structure-based lead optimization turned out into a small series of analogues, where 8 is the most potent compound published so far. 8 was used as pharmacological tool to ascertain, for the first time, the anticancer potential of BAX direct activators and the obtained results would suggest that BAX direct activators are potential future anticancer drugs rather than venoms.