3-(β-phenylethyl)-3,6-diazaspiro[5.6]dodecane chloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(β-phenylethyl)-3,6-diazaspiro[5.6]dodecane chloride
• 英文别名: 3-(2-Phenylethyl)-3-aza-6-azoniaspiro[5.6]dodecane;chloride
• 化学式: C₁₈H₂₉N₂*Cl
• 分子量: 308.895
• InChiKey: AHKJYQGSSGCYAM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.06
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  环己亚胺 、 bis-(2-chloro-ethyl)-(2-phenyl-ethyl)-amine 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 生成 3-(β-phenylethyl)-3,6-diazaspiro[5.6]dodecane chloride
  参考文献：
  名称：

  Unique spirocyclopiperazinium salt III: Further investigation of monospirocyclopiperazinium (MSPZ) salts as potential analgesics

  摘要：

  Two novel classes of monospirocyclopiperazinium salts were designed, synthesized, and evaluated for their in vivo analgesic activities. Some interesting structure-activity relationships are revealed: (1) Spirocyclopiperazinium moiety is favorable to improve the analgesic activity; (2) The size and conformation of spirocyclopiperazinium moiety significantly affects the analgesic activity; (3) Phenylethyl group of 3d is a crucial pharmacophore. Among the compounds synthesized, 3d exhibited the most potent activity with low toxicity. Further antinociceptive mechanism studies of 3d showed that these compounds will be a new kind of analgesics. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.026