(S)-N-(quinuclidin-3-yl)-4-(trifluoromethyl)benzamide | 1221570-00-8

• 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: (S)-N-(quinuclidin-3-yl)-4-(trifluoromethyl)benzamide
• 英文别名: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-(trifluoromethyl)benzamide
• CAS: 1221570-00-8
• 化学式: C₁₅H₁₇F₃N₂O
• 分子量: 298.308
• InChiKey: WUAYIMJJGBSBLD-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-三氟甲基苯甲酸 、 (S)-1-azabicyclo[2.2.2]oct-3-ylamine dihydrochloride 在 2-氯-1-甲基吡啶碘化物 、 三乙胺 作用下， 以 乙腈 为溶剂， 以93%的产率得到(S)-N-(quinuclidin-3-yl)-4-(trifluoromethyl)benzamide
  参考文献：
  名称：

  NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF

  摘要：

  公开号：

  EP2344636B1

文献信息

• Chimeric ligand-gated ion channels and methods of use thereof
  申请人：Sternson Scott

  公开号：US08435762B2

  公开（公告）日：2013-05-07

  The present invention provides novel chimeric receptors that have unique pharmacology. In particular, the chimeric receptors comprise a mutated ligand binding domain of the α7 nicotinic acetylcholine receptor fused to a transmembrane or channel domain from a ligand-gated ion channel protein. The mutations in the ligand binding domain confer selective binding of compounds. Methods of using the novel chimeric receptors of the invention as well as compounds that preferentially bind and activate the chimeric receptors are also disclosed.

  本发明提供了具有独特药理学的新型嵌合受体。具体而言，这些嵌合受体包括α7尼古丁酰胆碱受体的突变配体结合域与来自配体门控离子通道蛋白的跨膜或通道域融合。配体结合域中的突变赋予了化合物的选择性结合。本发明还公开了使用新型嵌合受体的方法以及更倾向于结合和激活嵌合受体的化合物。
• US8435762B2
  申请人：——

  公开号：US8435762B2

  公开（公告）日：2013-05-07
• [EN] NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF<br/>[FR] CANAUX IONIQUES CHIMÉRIQUES INÉDITS ACTIVÉS PAR LA FIXATION D'UN LIGAND ET LEURS PROCÉDÉS D'UTILISATION
  申请人：HUGHES HOWARD MED INST

  公开号：WO2010042799A2

  公开（公告）日：2010-04-15

  The present invention provides novel chimeric receptors that have unique pharmacology. In particular, the chimeric receptors comprise a mutated ligand binding domain of the α7 nicotinic acetylcholine receptor fused to a transmembrane or channel domain from a ligand-gated ion channel protein. The mutations in the ligand binding domain confer selective binding of compounds. Methods of using the novel chimeric receptors of the invention as well as compounds that preferentially bind and activate the chimeric receptors are also disclosed.