1-(6-benzyl-6-azabicyclo[3.2.1]octan-3-yl)indolin-2-one | 1256445-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(6-benzyl-6-azabicyclo[3.2.1]octan-3-yl)indolin-2-one
• 英文别名: 1-(6-benzyl-6-azabicyclo[3.2.1]octan-3-yl)-3H-indol-2-one
• CAS: 1256445-83-6
• 化学式: C₂₂H₂₄N₂O
• 分子量: 332.445
• InChiKey: KMSRSLBWGAQZCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 aluminum (III) chloride 作用下， 反应 2.0h， 生成 1-(6-benzyl-6-azabicyclo[3.2.1]octan-3-yl)indolin-2-one
  参考文献：
  名称：

  Novel α3β4 Nicotinic Acetylcholine Receptor-Selective Ligands. Discovery, Structure−Activity Studies, and Pharmacological Evaluation

  摘要：

  Antagonist activity at the alpha 3 beta 4 nicotinic acetylcholine receptor (nAChR) is thought to contribute to the antiaddictive properties of several compounds. However, truly selective ligands for the alpha 3 beta 4 nAChR have not been available. We report the discovery and SA R of a novel class of compounds that bind to the alpha 3 beta 4 nAChR and have no measurable affinity for the alpha 4 beta 2 or alpha 7 subtype. In functional assays the lead compound antagonized epibatidine-induced Ca2+ flux in alpha 3 beta 4-transfected cells in a noncompetitive manner.

  DOI：

  10.1021/jm1006148