2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]ethanol | 1443040-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]ethanol
• CAS: 1443040-88-7
• 化学式: C₄₆H₇₆O₆Si
• 分子量: 753.191
• InChiKey: QZTVEVQQNPUDRY-ZVYJJAFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.77
• 重原子数：
  53
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  66.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]ethanol 在 戴斯-马丁氧化剂 作用下， 以60%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
• 作为产物：
  描述：

  在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以92%的产率得到2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptadecyl]-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]ethanol
  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

文献信息

• Cryptocaryol Structure–Activity Relationship Study of Cancer Cell Cytotoxicity and Ability to Stabilize PDCD4
  作者：Michael F. Cuccarese、Yanping Wang、Penny J. Beuning、George A. O’Doherty

  DOI：10.1021/ml4005039

  日期：2014.5.8

  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.