4-acetoxymethyl-1,2-diheptylcyclohexene | 145827-37-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-acetoxymethyl-1,2-diheptylcyclohexene
• CAS: 145827-37-8
• 化学式: C₂₃H₄₂O₂
• 分子量: 350.585
• InChiKey: PKPKVOJIVOBNHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.37
• 重原子数：
  25.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-acetoxymethyl-1,2-diheptylcyclohexene 在 二甲基硫 、 氧气 、 臭氧 作用下， 生成 10-acetoxymethyl-8,13-eicosanedione
  参考文献：
  名称：

  Synthesis of diacylglycerol analogues as potential second-messenger antagonists and inhibitors of protein kinase C

  摘要：

  A series of analogues of diacylglycerol has been prepared and tested as inhibitors of protein kinase C (PKC). The diketone analogues, 10-hydroxymethyl-8,13-eicosanedione (24), 10-acetoxymethyl-8,13-eicosanedione (25), and 10-methoxymethyl-8,13-eicosanedione (26) each inhibited PKC activated by 2-0-acetyl-1-0-oleoylglycerol. Compound 24 was the most effective inhibitor of the growth of MR4 and HT29 cells in culture, and 26 was more effective than 24 against HL60 cells.

  DOI：

  10.1016/0008-6215(92)85036-y
• 作为产物：
  描述：

  2,3-di-n-heptyl-1,3-butadiene 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 121.0h， 生成 4-acetoxymethyl-1,2-diheptylcyclohexene
  参考文献：
  名称：

  Synthesis of diacylglycerol analogues as potential second-messenger antagonists and inhibitors of protein kinase C

  摘要：

  A series of analogues of diacylglycerol has been prepared and tested as inhibitors of protein kinase C (PKC). The diketone analogues, 10-hydroxymethyl-8,13-eicosanedione (24), 10-acetoxymethyl-8,13-eicosanedione (25), and 10-methoxymethyl-8,13-eicosanedione (26) each inhibited PKC activated by 2-0-acetyl-1-0-oleoylglycerol. Compound 24 was the most effective inhibitor of the growth of MR4 and HT29 cells in culture, and 26 was more effective than 24 against HL60 cells.

  DOI：

  10.1016/0008-6215(92)85036-y