ethyl (6Z,10E)-7-allyl-11,15-dimethyl-3-oxohexadeca-6,10,14-trienoate | 1023955-27-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ethyl (6Z,10E)-7-allyl-11,15-dimethyl-3-oxohexadeca-6,10,14-trienoate
• CAS: 1023955-27-2
• 化学式: C₂₃H₃₆O₃
• 分子量: 360.537
• InChiKey: UABKLGBPHBRHOP-QUFKBVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.26
• 重原子数：
  26.0
• 可旋转键数：
  14.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl (6Z,10E)-7-allyl-11,15-dimethyl-3-oxohexadeca-6,10,14-trienoate 、 alkaline earth salt of/the/ methylsulfuric acid 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of 3- and 7-substituted geranylgeranyl pyrophosphate analogs

  摘要：

  Protein prenyl transferases have been a focus of anti-cancer drug discovery in recent years due to their roles in post-translational modi. cation of small GTP binding proteins. Attention is now turning to the development of GGTase I inhibitors. Here, we present the synthesis and biological evaluation of four GGPP analogs versus mammalian GGTase I and the discovery that 7-allyl GGPP is a surprisingly efficient GGTase I substrate. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.014
• 作为产物：
  描述：

  (4Z,7E)-4-(2-bromoethylidene)-8,12-dimethyltrideca-1,7,11-triene 、 乙酰乙酸乙酯钠 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 ethyl (6Z,10E)-7-allyl-11,15-dimethyl-3-oxohexadeca-6,10,14-trienoate
  参考文献：
  名称：

  Synthesis and evaluation of 3- and 7-substituted geranylgeranyl pyrophosphate analogs

  摘要：

  Protein prenyl transferases have been a focus of anti-cancer drug discovery in recent years due to their roles in post-translational modi. cation of small GTP binding proteins. Attention is now turning to the development of GGTase I inhibitors. Here, we present the synthesis and biological evaluation of four GGPP analogs versus mammalian GGTase I and the discovery that 7-allyl GGPP is a surprisingly efficient GGTase I substrate. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.014