8-(4-{[5-(3-Bromo-propoxy)-chroman-3-yl]-propyl-amino}-butyl)-8-aza-spiro[4.5]decane-7,9-dione | 269061-56-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 8-(4-{[5-(3-Bromo-propoxy)-chroman-3-yl]-propyl-amino}-butyl)-8-aza-spiro[4.5]decane-7,9-dione
• CAS: 269061-56-5
• 化学式: C₂₈H₄₁BrN₂O₄
• 分子量: 549.549
• InChiKey: IUEAGCMNNWPGSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.36
• 重原子数：
  35.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  59.08
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-氨基茚满盐酸盐 、 8-(4-{[5-(3-Bromo-propoxy)-chroman-3-yl]-propyl-amino}-butyl)-8-aza-spiro[4.5]decane-7,9-dione 在 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 以46%的产率得到
  参考文献：
  名称：

  Substituted 3-amino and/or 3-aminomethyl-3,4-dihydro-2 H -1-benzopyrans: synthesis and biological activity

  摘要：

  A series of new 3-amino, 3-aminomethyl-5-alkoxy-3,4-dihydro-2H-1-benzopyran and 5-alkoxy-3',4'-dihydrospiro[piperazine-2,3'(2'H)-benzopyran] derivatives was prepared and evaluated for affinity at 5-HT1A, 5-HT2A and D-2 receptors. Two of the compounds (1f and 2b) can be considered as potent and selective 5-HT2A ligands. One compound (1g) demonstrated high affinity for 5-HT1A and D-2 receptor binding sites and one compound (1d) proved to be a mixed 5-HT1A/5-HT2A ligand. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00311-9
• 作为产物：
  描述：

  S 20244 在 三溴化硼-二甲基硫醚 三溴甲基硫化硼 、 potassium carbonate 作用下， 以 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 15.5h， 生成 8-(4-{[5-(3-Bromo-propoxy)-chroman-3-yl]-propyl-amino}-butyl)-8-aza-spiro[4.5]decane-7,9-dione
  参考文献：
  名称：

  Substituted 3-amino and/or 3-aminomethyl-3,4-dihydro-2 H -1-benzopyrans: synthesis and biological activity

  摘要：

  A series of new 3-amino, 3-aminomethyl-5-alkoxy-3,4-dihydro-2H-1-benzopyran and 5-alkoxy-3',4'-dihydrospiro[piperazine-2,3'(2'H)-benzopyran] derivatives was prepared and evaluated for affinity at 5-HT1A, 5-HT2A and D-2 receptors. Two of the compounds (1f and 2b) can be considered as potent and selective 5-HT2A ligands. One compound (1g) demonstrated high affinity for 5-HT1A and D-2 receptor binding sites and one compound (1d) proved to be a mixed 5-HT1A/5-HT2A ligand. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00311-9