2,2-bis[4-(5-pentafluoroethyl-4-(4-pyridyl)oxazol-2-yl)phenyl]hexafluoropropane | 1346142-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,2-bis[4-(5-pentafluoroethyl-4-(4-pyridyl)oxazol-2-yl)phenyl]hexafluoropropane
• CAS: 1346142-25-3
• 化学式: C₃₅H₁₆F₁₆N₄O₂
• 分子量: 828.512
• InChiKey: SNISHZVSMARBKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.84
• 重原子数：
  57.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  77.84
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,2-bis[4-(5-pentafluoroethyl-4-(4-pyridyl)oxazol-2-yl)phenyl]hexafluoropropane 、 2-氯乙醇 反应 5.5h， 以65%的产率得到2,2-bis[4-(5-pentafluoroethyl-4-(1-(2-hydroxyethyl)pyridinium-4-yl)oxazol-2-yl)phenyl]hexafluoropropane dichloride
  参考文献：
  名称：

  Synthesis and biological activity of new bispyridinium salts of 4,4′-bispyridyl-5,5′-perfluoroalkyl-2,2′-bisoxazoles

  摘要：

  A series of bispyridinium compounds were synthesized by a short sequence of reactions from symmetric diamides. All compounds were tested for their antiproliferative activity against HT-29, a cell line derived from a human colon adenocarcinoma, and their inhibitory activity against choline kinase (ChoK), a novel anticancer molecular target already in clinical trials. Most of the compounds analyzed showed good antiproliferative activities, in the micromolar range, with the identification of promising lead molecules as a new family of potential inhibitors of ChoK. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.09.046
• 作为产物：
  描述：

  2,2-bis(4-chlorocarbonylphenyl)-hexafluoropropane 在 吡啶 、 4-二甲氨基吡啶 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 2,2-bis[4-(5-pentafluoroethyl-4-(4-pyridyl)oxazol-2-yl)phenyl]hexafluoropropane
  参考文献：
  名称：

  Synthesis and biological activity of new bispyridinium salts of 4,4′-bispyridyl-5,5′-perfluoroalkyl-2,2′-bisoxazoles

  摘要：

  A series of bispyridinium compounds were synthesized by a short sequence of reactions from symmetric diamides. All compounds were tested for their antiproliferative activity against HT-29, a cell line derived from a human colon adenocarcinoma, and their inhibitory activity against choline kinase (ChoK), a novel anticancer molecular target already in clinical trials. Most of the compounds analyzed showed good antiproliferative activities, in the micromolar range, with the identification of promising lead molecules as a new family of potential inhibitors of ChoK. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.09.046