(+/-) 5-(4-amino-phenyl)-furan-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide | 869347-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 英文名称: (+/-) 5-(4-amino-phenyl)-furan-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
• 英文别名: 5-(4-Amino-phenyl)-furan-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide；5-(4-aminophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
• CAS: 869347-90-0
• 化学式: C₁₈H₂₁N₃O₂
• 分子量: 311.384
• InChiKey: NAXMKXTXSOCQMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  71.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (+/-) 5-(4-amino-phenyl)-furan-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide 在 苯甲酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以25%的产率得到(+/-) 5-(4-benzoylamino-phenyl)-furan-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide hydrochloric acid salt
  参考文献：
  名称：

  [EN] NOVEL AZABICYCLIC ARYL DERIVATIVES
  [FR] NOUVEAUX DERIVES ARYLE AZABICYCLIQUES

  摘要：

  公开号：

  WO2005111033A3
• 作为产物：
  描述：

  5-(4-硝基苯基)呋喃-2-甲酰氯 在 palladium 10% on activated carbon 氢气 、 sodium methylate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 24.0h， 生成 (+/-) 5-(4-amino-phenyl)-furan-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
  参考文献：
  名称：

  [EN] NOVEL AZABICYCLIC ARYL DERIVATIVES
  [FR] NOUVEAUX DERIVES ARYLE AZABICYCLIQUES

  摘要：

  公开号：

  WO2005111033A3

文献信息

• Novel Azabicyclic Aryl Derivatives
  申请人：Peters Dan

  公开号：US20070203117A1

  公开（公告）日：2007-08-30

  This invention relates to novel azabicyclic aryl derivatives which are found to be cholinergic ligands at the nicotinic acetylcholine receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及一种新型的氮杂双环芳基衍生物，发现它们是乙酰胆碱受体的胆碱能配体。由于它们的药理特性，本发明中的化合物可能对治疗与中枢神经系统（CNS）和外周神经系统（PNS）的胆碱能系统相关的疾病或障碍、平滑肌收缩相关的疾病或障碍、内分泌疾病或障碍、神经退行性疾病或障碍、炎症相关的疾病或障碍、疼痛以及由于滥用化学物质而引起的戒断症状具有广泛的用途。
• Azabicyclic aryl derivatives
  申请人：NeuroSearch A/S

  公开号：US07514450B2

  公开（公告）日：2009-04-07

  This invention relates to novel azabicyclic aryl derivatives which are found to be cholinergic ligands at the nicotinic acetylcholine receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及新型的氮杂双环芳基衍生物，发现它们是乙酰胆碱受体的胆碱能配体。由于它们的药理特性，本发明的化合物可能对治疗与中枢神经系统（CNS）、外周神经系统（PNS）的胆碱能系统有关的疾病或障碍、平滑肌收缩相关的疾病或障碍、内分泌疾病或障碍、神经退行性疾病或障碍、炎症相关的疾病或障碍、疼痛和因化学物质滥用终止而引起的戒断症状等疾病或障碍有用。
• US7514450B2
  申请人：——

  公开号：US7514450B2

  公开（公告）日：2009-04-07
• [EN] NOVEL AZABICYCLIC ARYL DERIVATIVES<br/>[FR] NOUVEAUX DERIVES ARYLE AZABICYCLIQUES
  申请人：NEUROSEARCH AS

  公开号：WO2005111033A3

  公开（公告）日：2006-01-12