(R)-1-((2S,4S,6S)-6-(((2S,4S,6S)-6-((S)-2-((tert-butyldimethylsilyl)oxy)heptadecyl)-2-phenyl-1,3-dioxan-4-yl)methyl)-2-phenyl-1,3-dioxan-4-yl)pent-4-en-2-ol | 1443040-91-2

• 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: (R)-1-((2S,4S,6S)-6-(((2S,4S,6S)-6-((S)-2-((tert-butyldimethylsilyl)oxy)heptadecyl)-2-phenyl-1,3-dioxan-4-yl)methyl)-2-phenyl-1,3-dioxan-4-yl)pent-4-en-2-ol
• CAS: 1443040-91-2
• 化学式: C₄₉H₈₀O₆Si
• 分子量: 793.256
• InChiKey: IFBKDKYYQPHCSM-SOXMHUJLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.71
• 重原子数：
  56.0
• 可旋转键数：
  26.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.38
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-1-((2S,4S,6S)-6-(((2S,4S,6S)-6-((S)-2-((tert-butyldimethylsilyl)oxy)heptadecyl)-2-phenyl-1,3-dioxan-4-yl)methyl)-2-phenyl-1,3-dioxan-4-yl)pent-4-en-2-ol 在 四丁基氟化铵 、 N,N'-二环己基碳二亚胺 作用下， 生成 (R)-1-((2R,4R,6S)-6-(((2R,4R,6R)-6-((S)-2-hydroxyheptadecyl)-2-phenyl-1,3-dioxan-4-yl)methyl)-2-phenyl-1,3-dioxan-4-yl)pent-4-en-2-yl acrylate
  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