(13E)-1-amino-13-ethylidene-11-(trifluoromethyl)-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (13E)-1-amino-13-ethylidene-11-(trifluoromethyl)-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
• 化学式: C₁₅H₁₅F₃N₂O
• 分子量: 296.292
• InChiKey: WPUFLGDKDRHMHB-WTDSWWLTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [13-Eth-(E)-ylidene-5-methoxy-11-trifluoromethyl-6-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-1-yl]-carbamic acid methyl ester 在 甲醇 、 碘代三甲硅烷 作用下， 生成 (13E)-1-amino-13-ethylidene-11-(trifluoromethyl)-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
  参考文献：
  名称：

  Synthesis and acetylcholinesterase inhibitory activity of fluorinated analogues of huperzine A

  摘要：

  Three novel fluorinated analogues of huperzine A ( 1 ), (+/-)-12, 12, 12-trifluorohuperzine A ( 2 ), (+/-)-14,14,14-trifluorohuperzine A ( 3 ), and (+/-)-12,12,12,14,14,14-hexafluorohuperzine A ( 4 ), have been synthesized by employing TMSCF(3) as a trifluoromethylating agent. These analogues were found to still retain anti-acetylcholinesterase activity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00337-x

文献信息

• JPH0995483A
  申请人：——

  公开号：JPH0995483A

  公开（公告）日：1997-04-08
• Synthesis and acetylcholinesterase inhibitory activity of fluorinated analogues of huperzine A
  作者：Satoru Kaneko、Noriyuki Nakajima、Mayumi Shikano、Ta-i Katoh、Shiro Terashima

  DOI：10.1016/0960-894x(96)00337-x

  日期：1996.8

  Three novel fluorinated analogues of huperzine A ( 1 ), (+/-)-12, 12, 12-trifluorohuperzine A ( 2 ), (+/-)-14,14,14-trifluorohuperzine A ( 3 ), and (+/-)-12,12,12,14,14,14-hexafluorohuperzine A ( 4 ), have been synthesized by employing TMSCF(3) as a trifluoromethylating agent. These analogues were found to still retain anti-acetylcholinesterase activity. Copyright (C) 1996 Elsevier Science Ltd