(1,4-diaza-bicyclo[3.2.2]non-4-yl)-benzofuran-2-yl-methanone | 660860-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: (1,4-diaza-bicyclo[3.2.2]non-4-yl)-benzofuran-2-yl-methanone
• 英文别名: (1,4-diazabicyclo[3.2.2]non-4-yl)(benzofuran-2-yl)methanone；1-benzofuran-2-yl(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
• CAS: 660860-12-8
• 化学式: C₁₆H₁₈N₂O₂
• 分子量: 270.331
• InChiKey: DPGGKYZMVCMQHO-UHFFFAOYSA-N

物化性质

• 沸点：
  430.5±25.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯并呋喃-2-羧酸 、 1,4-diazabicyclo[3.2.2]nonane dihydrochloride 在 1-羟基苯并三唑 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 20.0h， 以34%的产率得到(1,4-diaza-bicyclo[3.2.2]non-4-yl)-benzofuran-2-yl-methanone
  参考文献：
  名称：

  [EN] ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS.
  [FR] DIAZABICYCLOALCANES SUBSTITUES PAR ARYLE UTILISES COMME AGONISTES NICOTINIQUES DE L'ACETYLCHOLINE

  摘要：

  公式I中的尼古丁型乙酰胆碱受体激动剂，其中a、b、c、D和R如规范中定义的，对映体，药学上可接受的盐，制备方法，含有药物的制剂，以及在治疗或预防精神疾病、智力障碍、阿尔茨海默病、学习障碍、认知障碍、注意力缺陷、记忆丧失、Lewy体痴呆、注意力缺陷多动障碍、焦虑、精神分裂症、狂躁或躁郁症、帕金森病、亨廷顿病、图雷特综合症、神经退行性疾病中使用相同的方法。其中存在胆碱能突触丧失、时差反应、戒烟、尼古丁成瘾、疼痛、溃疡性结肠炎或肠易激综合征。

  公开号：

  WO2004016616A1

文献信息

• [EN] NOVEL DIAZABICYCLIC ARYL DERIVATIVES<br/>[FR] DERIVES ARYLE DIAZABICYCLIQUES
  申请人：NEUROSEARCH AS

  公开号：WO2004076453A1

  公开（公告）日：2004-09-10

  This invention relates to novel diazabicyclic 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.

  这项发明涉及新颖的二氮杂双环芳基衍生物，发现它们在尼古丁型乙酰胆碱受体上是胆碱能配体。由于它们的药理特性，该发明的化合物可能对与中枢神经系统（CNS）的胆碱能系统、外周神经系统（PNS）、平滑肌收缩有关的疾病或疾病、内分泌疾病或疾病、神经退行性疾病或疾病、炎症、疼痛以及由于滥用化学物质而导致的戒断症状有用。
• Novel diazabicyclic aryl derivatives
  申请人：Peters Dan

  公开号：US20060148789A1

  公开（公告）日：2006-07-06

  This invention relates to novel diazabicyclic 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.

  本发明涉及新型二氮杂双环芳基衍生物，发现它们是乙酰胆碱受体上的胆碱能配体。由于它们的药理特性，本发明中的化合物可能有用于治疗多种与中枢神经系统（CNS）和外周神经系统（PNS）的胆碱能系统相关的疾病或障碍，与平滑肌收缩有关的疾病或障碍，内分泌疾病或障碍，与神经退行性有关的疾病或障碍，与炎症、疼痛以及化学物质滥用终止引起的戒断症状相关的疾病或障碍。
• Aryl-substituted diazabicycloalkanes as nicotinic acetylcholine agonists
  申请人：Ernst Glen

  公开号：US20060052368A1

  公开（公告）日：2006-03-09

  Nicotinic acetylcholine receptor agonists of formula I wherein a, b, c, D and R are as defined in the specification, enantiomers, pharmaceutically-acceptable salts, methods of making, pharmaceutical compositions containing and methods for using the same.

  公式I中的尼古丁型乙酰胆碱受体激动剂，其中a、b、c、D和R如规格中所定义，对映异构体，药学上可接受的盐，制备方法，含有该药物的制药组合物以及使用该药物的方法。
• NOVEL DIAZABICYCLIC ARYL DERIVATIVES
  申请人：PETERS Dan

  公开号：US20100130483A1

  公开（公告）日：2010-05-27

  This invention relates to novel diazabicyclic 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.

  本发明涉及新型二氮杂双环芳基衍生物，其被发现是尼古丁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）的胆碱能系统、外周神经系统（PNS）、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、疼痛和化学物质滥用终止引起的戒断症状等多种疾病或障碍具有用处。
• ARYL-SUBSTITUTED DIAZABICYCLOALKANES AS NICOTINIC ACETYLCHOLINE AGONISTS.
  申请人：AstraZeneca AB

  公开号：EP1539764A1

  公开（公告）日：2005-06-15