| 1443040-89-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1443040-89-8
• 化学式: C₄₂H₆₄O₇
• 分子量: 680.966
• InChiKey: IGBWJSRWCSEPFB-KNPKQYAOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.31
• 重原子数：
  49.0
• 可旋转键数：
  23.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  83.45
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 溶剂黄146 作用下， 以 水 为溶剂， 反应 1.0h， 以69%的产率得到(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
• 作为产物：
  描述：

  在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以72%的产率得到
  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