(1S,2S,6R,7R,8R,10S)-4-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione | 1187583-66-9

• 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: (1S,2S,6R,7R,8R,10S)-4-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
• CAS: 1187583-66-9
• 化学式: C₂₄H₃₁N₃O₃
• 分子量: 409.528
• InChiKey: BVVADVSSWDASBX-OCUMHDBQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  56.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1S,2S,6R,7R,8R,10S)-4-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione 在 盐酸 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 (1R,2R,6S,7S,8S,10R)-4-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione;hydrochloride
  参考文献：
  名称：

  N-[4-(arylpiperazin-1-yl)butyl]bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dicarboximides and Their Epoxy Derivatives. Synthesis and affinity for 5-HT1a receptors

  摘要：

  New ligands for 5-HT1A serotonin receptors, N-[4-(4-arylpiperazin-1-yl)butyl]bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dicarboximides and their epoxy derivatives, were synthesized, and their affinity for 5-HT1A receptors was estimated at 16.2 +/- 2.0 to 0.60 +/- 0.08 nM.

  DOI：

  10.1134/s1070363209020212
• 作为产物：
  描述：

  (1S,2S,6R,7R,8R,10S)-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione 、 在 potassium carbonate 作用下， 以 甲苯 为溶剂， 生成 (1S,2S,6R,7R,8R,10S)-4-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-9-oxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
  参考文献：
  名称：

  N-[4-(arylpiperazin-1-yl)butyl]bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dicarboximides and Their Epoxy Derivatives. Synthesis and affinity for 5-HT1a receptors

  摘要：

  New ligands for 5-HT1A serotonin receptors, N-[4-(4-arylpiperazin-1-yl)butyl]bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dicarboximides and their epoxy derivatives, were synthesized, and their affinity for 5-HT1A receptors was estimated at 16.2 +/- 2.0 to 0.60 +/- 0.08 nM.

  DOI：

  10.1134/s1070363209020212

文献信息

• N-[4-(arylpiperazin-1-yl)butyl]bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dicarboximides and Their Epoxy Derivatives. Synthesis and affinity for 5-HT1a receptors
  作者：S. Yu. Makan、D. I. Tsymbal、S. G. Soboleva、I. N. Tarabara、L. I. Kas’yan、S. A. Andronati

  DOI：10.1134/s1070363209020212

  日期：2009.2

  New ligands for 5-HT1A serotonin receptors, N-[4-(4-arylpiperazin-1-yl)butyl]bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dicarboximides and their epoxy derivatives, were synthesized, and their affinity for 5-HT1A receptors was estimated at 16.2 +/- 2.0 to 0.60 +/- 0.08 nM.