ethyl (1R,5S,8r)-8-((2-benzamidoethyl)amino)-3-azabicyclo[3.2.1]octane-3-carboxylate | 1379000-37-9

• 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: ethyl (1R,5S,8r)-8-((2-benzamidoethyl)amino)-3-azabicyclo[3.2.1]octane-3-carboxylate
• CAS: 1379000-37-9
• 化学式: C₁₉H₂₇N₃O₃
• 分子量: 345.442
• InChiKey: PFCSPMLKJFWOCM-BJWYYQGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  70.67
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-(2-氨基乙基)苯甲酰胺 、 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 生成 ethyl (1R,5S,8r)-8-((2-benzamidoethyl)amino)-3-azabicyclo[3.2.1]octane-3-carboxylate
  参考文献：
  名称：

  Continued optimization of the MLPCN probe ML071 into highly potent agonists of the hM1 muscarinic acetylcholine receptor

  摘要：

  This Letter describes the continued optimization of the MLPCN probe molecule ML071. After introducing numerous cyclic constraints and novel substitutions throughout the parent structure, we produced a number of more highly potent agonists of the M-1 mACh receptor. While many novel agonists demonstrated a promising ability to increase soluble APP alpha release, further characterization indicated they may be functioning as bitopic agonists. These results and the implications of a bitopic mode of action are presented. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.088