(2-Sulfanylidenepyridin-1-yl) tetradecanoate | 1026791-81-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (2-Sulfanylidenepyridin-1-yl) tetradecanoate
• CAS: 1026791-81-0
• 化学式: C₁₉H₃₁NO₂S
• 分子量: 337.527
• InChiKey: PWZXRWUMMAUMHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  23
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-(2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)propanoate 、 (2-Sulfanylidenepyridin-1-yl) tetradecanoate 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 Methyl 3-(2,5-dioxo-1-phenyl-3-pyridin-2-ylsulfanyl-4-tridecylpyrrolidin-3-yl)propanoate
  参考文献：
  名称：

  Synthesis and biological evaluation of dialkylsubstituted maleic anhydrides as novel inhibitors of Cdc25 dual specificity phosphatases

  摘要：

  An efficient synthesis of dialkyl substituted maleic anhydrides 1a-j is described. The inhibitory potential of these original anhydride derivatives was tested toward the three human isoforms A, B and C of dual specific phosphatases Cdc25. A micromolar range inhibition of Cdc25s was observed with the maleic anhydrides bearing simple alkyl side chains longer than C-9, to reach the optimal activity with a C-17 chain length. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.09.014
• 作为产物：
  描述：

  1-氧化-2-巯基吡啶 、 肉豆蔻酸 在 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (2-Sulfanylidenepyridin-1-yl) tetradecanoate
  参考文献：
  名称：

  Synthesis and biological evaluation of dialkylsubstituted maleic anhydrides as novel inhibitors of Cdc25 dual specificity phosphatases

  摘要：

  An efficient synthesis of dialkyl substituted maleic anhydrides 1a-j is described. The inhibitory potential of these original anhydride derivatives was tested toward the three human isoforms A, B and C of dual specific phosphatases Cdc25. A micromolar range inhibition of Cdc25s was observed with the maleic anhydrides bearing simple alkyl side chains longer than C-9, to reach the optimal activity with a C-17 chain length. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.09.014

文献信息

• Poigny, Stephane; Guyot, Michele; Samadi, Mohammad, Journal of the Chemical Society. Perkin transactions I, 1997, # 15, p. 2175 - 2177
  作者：Poigny, Stephane、Guyot, Michele、Samadi, Mohammad

  DOI：——

  日期：——