5-hydroxy-1-{4-[5-(1-oxy-1,4-diaza-bicyclo[3.2.2]nonane-4-carbonyl)-furan-2-yl]-phenyl}-1,5-dihydro-pyrrol-2-one | 862851-91-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 5-hydroxy-1-{4-[5-(1-oxy-1,4-diaza-bicyclo[3.2.2]nonane-4-carbonyl)-furan-2-yl]-phenyl}-1,5-dihydro-pyrrol-2-one
• 英文别名: 2-hydroxy-1-[4-[5-(1-oxido-4-aza-1-azoniabicyclo[3.2.2]nonane-4-carbonyl)furan-2-yl]phenyl]-2H-pyrrol-5-one
• CAS: 862851-91-0
• 化学式: C₂₂H₂₃N₃O₅
• 分子量: 409.442
• InChiKey: KKZKMMBHFVSVOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  92.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  马来酸酐 、 (1,4-diaza-bicyclo[3.2.2]non-4-yl)-5-(4-aminophenyl)-furan-2-yl-methanone 以 二氯甲烷 为溶剂， 反应 4.0h， 以73%的产率得到5-hydroxy-1-{4-[5-(1-oxy-1,4-diaza-bicyclo[3.2.2]nonane-4-carbonyl)-furan-2-yl]-phenyl}-1,5-dihydro-pyrrol-2-one
  参考文献：
  名称：

  [EN] DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  [FR] DERIVES D'ARYLE DIAZABICYCLIQUE CONSTITUANT DES LIGANDS DU RECEPTEUR DE L'ACETYLCHOLINE NICOTINIQUE

  摘要：

  这项发明涉及一种新颖的二氮杂双环芳基衍生物，其表示为式（I）；发现它们是胆碱能受体上的胆碱能配体。由于它们的药理特性，该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、内分泌疾病、神经退行性疾病、炎症、疼痛以及因滥用化学物质终止而引起的戒断症状等多种疾病或障碍有用。

  公开号：

  WO2005075482A1

文献信息

• Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands
  申请人：Peters Dan

  公开号：US20080227772A1

  公开（公告）日：2008-09-18

  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.

  本发明涉及一种新的二氮杂双环芳基衍生物，发现它们在尼古丁乙酰胆碱受体上具有胆碱能配体的作用。由于其药理特性，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疾病，与平滑肌收缩相关的疾病或疾病，内分泌疾病或疾病，与神经退行性相关的疾病或疾病，与炎症、疼痛以及由于化学物质滥用终止引起的戒断症状等各种疾病或疾病可能有用。
• DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：Peters Dan

  公开号：US20100130482A1

  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.

  本发明涉及新颖的二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用于治疗多种与中枢神经系统（CNS）和周围神经系统（PNS）的胆碱能系统有关的疾病或障碍，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有关的疾病或障碍。
• [EN] DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] DERIVES D'ARYLE DIAZABICYCLIQUE CONSTITUANT DES LIGANDS DU RECEPTEUR DE L'ACETYLCHOLINE NICOTINIQUE
  申请人：NEUROSEARCH AS

  公开号：WO2005075482A1

  公开（公告）日：2005-08-18

  This invention relates to novel diazabicyclic aryl derivatives represented by Formula (I); 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.

  这项发明涉及一种新颖的二氮杂双环芳基衍生物，其表示为式（I）；发现它们是胆碱能受体上的胆碱能配体。由于它们的药理特性，该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、内分泌疾病、神经退行性疾病、炎症、疼痛以及因滥用化学物质终止而引起的戒断症状等多种疾病或障碍有用。