[1-(3-Pyridin-2-ylethynyl-benzoyl)-piperidin-4-yl]-acetic acid | 888736-26-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [1-(3-Pyridin-2-ylethynyl-benzoyl)-piperidin-4-yl]-acetic acid
• CAS: 888736-26-3
• 化学式: C₂₁H₂₀N₂O₃
• 分子量: 348.401
• InChiKey: DWPWTHLQDZKQBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.5
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [1-(3-Pyridin-2-ylethynyl-benzoyl)-piperidin-4-yl]-acetic acid 、 4-氟苯胺 在 TEA 、 氯甲酸异丁酯 作用下， 以 二氯甲烷 为溶剂， 生成 N-(4-Fluoro-phenyl)-2-[1-(3-pyridin-2-ylethynyl-benzoyl)-piperidin-4-yl]-acetamide
  参考文献：
  名称：

  Diarylacetylene piperidinyl amides as novel anxiolytics

  摘要：

  N-Phenyl-2-[1-[3-(2-pyridinylethynyl)benzoyl]-4-piperidine]acetamide (9) and related piperidine acetamide derivatives have good oral activity in the elevated plus maze, an animal model predictive of clinical efficacy for the treatment of anxiety. Modest affinity was observed for the neurokinin NK-1 and 2 receptors, which are known to be involved in the regulation of mood and emotion. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.027
• 作为产物：
  描述：

  [1-(3-Pyridin-2-ylethynyl-benzoyl)-piperidin-4-yl]-acetic acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到[1-(3-Pyridin-2-ylethynyl-benzoyl)-piperidin-4-yl]-acetic acid
  参考文献：
  名称：

  Diarylacetylene piperidinyl amides as novel anxiolytics

  摘要：

  N-Phenyl-2-[1-[3-(2-pyridinylethynyl)benzoyl]-4-piperidine]acetamide (9) and related piperidine acetamide derivatives have good oral activity in the elevated plus maze, an animal model predictive of clinical efficacy for the treatment of anxiety. Modest affinity was observed for the neurokinin NK-1 and 2 receptors, which are known to be involved in the regulation of mood and emotion. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.027