8-(p-nitrophenyl)-5,8-diazaspiro[4.5]decane bromide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 8-(p-nitrophenyl)-5,8-diazaspiro[4.5]decane bromide
• 英文别名: 8-(4-Nitrophenyl)-8-aza-5-azoniaspiro[4.5]decane;bromide
• 化学式: Br*C₁₄H₂₀N₃O₂
• 分子量: 342.236
• InChiKey: MQCVTPPOGZKDSF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.97
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,4-二溴丁烷 、 1-(4-硝基苯基)哌嗪 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 生成 8-(p-nitrophenyl)-5,8-diazaspiro[4.5]decane bromide
  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

文献信息

• QUATERNARY AMMONIUM SALT COMPOUNDS OF SPIROCYCLOPIPERAZINES, PREPARATION METHODS AND USES THEREOF
  申请人：Peking University

  公开号：EP2036909B1

  公开（公告）日：2016-05-04
• Unique spirocyclopiperazinium salt III: Further investigation of monospirocyclopiperazinium (MSPZ) salts as potential analgesics
  作者：Qi Sun、Cai-Qin Yue、Jia Ye、Chang-Ling Li、Tie-Ming Cheng、Run-Tao Li

  DOI：10.1016/j.bmcl.2007.09.026

  日期：2007.11

  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.