| 1295633-56-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1295633-56-5
• 化学式: C₁₆H₂₀N₂O₃
• 分子量: 288.346
• InChiKey: STIREZFJTCXLHG-ALLUEIPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.45
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以34%的产率得到(E)-N-(4-pyridinyl)-3-(3,4-dihydroxycyclopent-1-yl)propenamide
  参考文献：
  名称：

  Synthesis and innate immunosuppressive effect of 1,2-cyclopentanediol derivatives

  摘要：

  Innate immunity is the front line of self-defense against infectious microorganisms. In mammals, innate immunity interacts with adaptive immunity and plays a key role in regulating the immune response. Therefore, innate immunity is a good pharmaceutical target for the development of immune regulators. After searching for natural substances that regulate innate immunity using an ex vivo Drosophila culture system, we identified a cyclopentanediol-type compound 1 as an immunosuppressor. In this study, we synthesized and evaluated 1 and its derivatives. Several methylamide- or phenylamide-containing derivatives showed effects that were 20-25 times more potent than those of 1. (c) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.01.049
• 作为产物：
  描述：

  tert-butyl (E)-3-((3aR,5r,6aS)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-5-yl)acrylate 在 4-二甲氨基吡啶 、 2-甲基-6-硝基苯甲酸酐 、 对甲苯磺酸 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.33h， 生成
  参考文献：
  名称：

  Synthesis and innate immunosuppressive effect of 1,2-cyclopentanediol derivatives

  摘要：

  Innate immunity is the front line of self-defense against infectious microorganisms. In mammals, innate immunity interacts with adaptive immunity and plays a key role in regulating the immune response. Therefore, innate immunity is a good pharmaceutical target for the development of immune regulators. After searching for natural substances that regulate innate immunity using an ex vivo Drosophila culture system, we identified a cyclopentanediol-type compound 1 as an immunosuppressor. In this study, we synthesized and evaluated 1 and its derivatives. Several methylamide- or phenylamide-containing derivatives showed effects that were 20-25 times more potent than those of 1. (c) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.01.049