| 1443040-87-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1443040-87-6
• 化学式: C₅₀H₇₂O₈
• 分子量: 801.117
• InChiKey: DKJHJCOEWKYLJO-GCRCGIOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.54
• 重原子数：
  58.0
• 可旋转键数：
  27.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  81.68
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 溶剂黄146 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 水 为溶剂， 反应 1.0h， 生成 (3S,5S,7S,9S,11S)-1,3,5,7,9-pentahydroxyhexacosan-11-yl acetate
  参考文献：
  名称：

  Cryptocaryol Structure–Activity Relationship Study of Cancer Cell Cytotoxicity and Ability to Stabilize PDCD4

  摘要：

  The synthetic cryptocaryols A and B and a series of their analogues have been evaluated for their cytotoxicity and their ability to stabilize the tumor suppressor PDCD4. Cytotoxicities in the 3 to 30 mu M range were found. Both the cytotoxicity and PDCD4 stabilizing ability were tolerant of large stereochemical changes to the molecule. Co-dosing studies with cryptocaryols A and B and several known cancer drugs showed no measuable enhancement in cancer drug cytotoxicity.

  DOI：

  10.1021/ml4005039