[(3aR,8bS)-4,8b-dimethyl-3-(2-phenylethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-nitrophenyl)carbamate | 1220692-04-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: [(3aR,8bS)-4,8b-dimethyl-3-(2-phenylethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-nitrophenyl)carbamate
• CAS: 1220692-04-5
• 化学式: C₂₇H₂₈N₄O₄
• 分子量: 472.544
• InChiKey: VOSDFYYUBRRDPZ-BDYUSTAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  90.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  异氰酸对硝基苯 、 (-)-N¹-phenethylnoreseroline 在 sodium 作用下， 以 乙醚 为溶剂， 反应 0.08h， 生成 [(3aR,8bS)-4,8b-dimethyl-3-(2-phenylethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-nitrophenyl)carbamate
  参考文献：
  名称：

  Design, synthesis and evaluation of carbamate-modified (−)-N1-phenethylnorphysostigmine derivatives as selective butyrylcholinesterase inhibitors

  摘要：

  We synthesized carbamate-modified (-)-N-1-phenethylnorphysostigmine derivatives 3a-u and evaluated their anti-cholinesterase activities. In vitro evaluation showed that cyclohexylmethylcarbamate derivative 3u potently and selectively inhibits butyrylcholinesterase. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.035

文献信息

• Design, synthesis and evaluation of carbamate-modified (−)-N1-phenethylnorphysostigmine derivatives as selective butyrylcholinesterase inhibitors
  作者：Jun Takahashi、Ichiro Hijikuro、Takeshi Kihara、Modachur G. Murugesh、Shinichiro Fuse、Yoshinori Tsumura、Akinori Akaike、Tetsuhiro Niidome、Takashi Takahashi、Hachiro Sugimoto

  DOI：10.1016/j.bmcl.2010.01.035

  日期：2010.3

  We synthesized carbamate-modified (-)-N-1-phenethylnorphysostigmine derivatives 3a-u and evaluated their anti-cholinesterase activities. In vitro evaluation showed that cyclohexylmethylcarbamate derivative 3u potently and selectively inhibits butyrylcholinesterase. (C) 2010 Elsevier Ltd. All rights reserved.