2-[9-(Adamantan-1-ylamino)-nonyl]-isoindole-1,3-dione | 206448-75-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[9-(Adamantan-1-ylamino)-nonyl]-isoindole-1,3-dione
• CAS: 206448-75-1
• 化学式: C₂₇H₃₈N₂O₂
• 分子量: 422.611
• InChiKey: CJBQUZBRCYXYNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.57
• 重原子数：
  31.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  49.41
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-[9-(Adamantan-1-ylamino)-nonyl]-isoindole-1,3-dione 在 肼 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 N1-Adamantan-1-yl-nonane-1,9-diamine
  参考文献：
  名称：

  Synthesis and activity studies of N-[ω-N′-(adamant-1′-yl)aminoalkyl]-2-(4′-dimethylaminophenyl)acetamides: In the search of selective inhibitors for the different molecular forms of acetylcholinesterase

  摘要：

  A series of N-[omega-N'-(adamant-1'-yl)aminoalkyl]-2-(4'-dimethylaminophen were synthesized and tested as acetylcholinesterase inhibitors. A significant selectivity toward acetyl cholinesterases from various natural sources, mainly differing in their quaternary structure and solubility, was pointed out. The interest of this kind of molecules as potential therapeutic agents for Alzheimer's disease is discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00076-6
• 作为产物：
  描述：

  potassium phtalimide 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 6.0h， 生成 2-[9-(Adamantan-1-ylamino)-nonyl]-isoindole-1,3-dione
  参考文献：
  名称：

  Synthesis and activity studies of N-[ω-N′-(adamant-1′-yl)aminoalkyl]-2-(4′-dimethylaminophenyl)acetamides: In the search of selective inhibitors for the different molecular forms of acetylcholinesterase

  摘要：

  A series of N-[omega-N'-(adamant-1'-yl)aminoalkyl]-2-(4'-dimethylaminophen were synthesized and tested as acetylcholinesterase inhibitors. A significant selectivity toward acetyl cholinesterases from various natural sources, mainly differing in their quaternary structure and solubility, was pointed out. The interest of this kind of molecules as potential therapeutic agents for Alzheimer's disease is discussed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00076-6