[3,5-Bis(trifluoromethyl)phenyl]-[4-(5-chloro-2-hydroxyphenyl)triazol-4-yl]methanone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: [3,5-Bis(trifluoromethyl)phenyl]-[4-(5-chloro-2-hydroxyphenyl)triazol-4-yl]methanone
• 英文别名: [3,5-bis(trifluoromethyl)phenyl]-[4-(5-chloro-2-hydroxyphenyl)triazol-4-yl]methanone
• 化学式: C₁₇H₈ClF₆N₃O₂
• 分子量: 435.7
• InChiKey: SEQRBWVKPHYREL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  74.4
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF PI3-KINASE SIGNALING<br/>[FR] INHIBITEURS À PETITE MOLÉCULE DE LA SIGNALISATION PI3-KINASE
  申请人：UNIV TUFTS

  公开号：WO2014153337A2

  公开（公告）日：2014-09-25

  Provided are certain 1,2,3-triazole and 1,2,3-triazole dimer analogs of DM-PIT-1 which are second-generation selective non-phosphoinositide small molecule inhibitors of phosphatidylinositol-3,4,5-trisphosphate (PIP3), including 1,2,3-triazoles represented by formula (I) where: Ar represents aryl or heteroaryl; X represents O or S; each of Ra, Rb, Rc, and Rd independently represents hydrogen, halogen, C1-C10alkyl, -OH, -CF3, aryl, amino, or nitro; and Ar is optionally substituted with one or more substituents independently selected from the group consisting of halogen, C1-Cioalkyl, -OH, -CF3, amino, and nitro. Also provided are pharmaceutical compositions comprising compounds of the invention and a pharmaceutical carrier. Also provided are methods of inhibiting PIP3-mediated signaling in a cell and treating cancer using compounds of the invention.