| 888020-95-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 888020-95-9
• 化学式: C₁₄H₂₈O₂Si
• 分子量: 256.461
• InChiKey: LCCNXZVWIPDHQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  在 氯化亚砜 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 (Z)-(S)-2-[(3aR,8aS)-3a-(tert-Butyl-dimethyl-silanyloxy)-2,3,3a,8a-tetrahydro-furo[2,3-b]indol-8-ylmethyl]-2-methyl-3-oxo-4-trimethylsilanylmethyl-dodec-4-enoic acid methyl ester
  参考文献：
  名称：

  Design, synthesis, and biological activities of madindoline analogues

  摘要：

  A research program is under way to develop a series of madindoline-based inhibitors targeting interleukin 6. Such inhibitors will have potential use in fighting a variety of diseases for which no effective therapeutic drugs currently exist. Madindoline is no longer available from natural Sources. Consequently, we have developed a purely synthetic route to ensure a supply of the compound. The synthesis of a range of analogues is described, all of which were evaluated for their inhibitory activity against the growth of IL-6-dependent 7TDI cells. From these assays, several synthetic madindoline analogues were identified as highly promising candidates for further development. (C) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2006.01.107
• 作为产物：
  描述：

  (E)-2-Trimethylsilanylmethyl-dec-2-enoic acid ethyl ester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Design, synthesis, and biological activities of madindoline analogues

  摘要：

  A research program is under way to develop a series of madindoline-based inhibitors targeting interleukin 6. Such inhibitors will have potential use in fighting a variety of diseases for which no effective therapeutic drugs currently exist. Madindoline is no longer available from natural Sources. Consequently, we have developed a purely synthetic route to ensure a supply of the compound. The synthesis of a range of analogues is described, all of which were evaluated for their inhibitory activity against the growth of IL-6-dependent 7TDI cells. From these assays, several synthetic madindoline analogues were identified as highly promising candidates for further development. (C) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2006.01.107