4-[5-(4-isoxazolyl)-1,3,4-oxadiazol-2-yl]-1,4-diazabicyclo[3.2.2]nonane | 677724-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[5-(4-isoxazolyl)-1,3,4-oxadiazol-2-yl]-1,4-diazabicyclo[3.2.2]nonane
• 英文别名: 2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-5-(1,2-oxazol-4-yl)-1,3,4-oxadiazole
• CAS: 677724-69-5
• 化学式: C₁₂H₁₅N₅O₂
• 分子量: 261.283
• InChiKey: NNQKXXGQQBUTIC-UHFFFAOYSA-N

物化性质

• 沸点：
  445.0±55.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE<br/>[FR] DERIVES DE 1,4-DIAZABICYCLOALKANE, PREPARATION ET UTILISATION
  申请人：NEUROSEARCH AS

  公开号：WO2004029053A1

  公开（公告）日：2004-04-08

  This invention relates to novel 1,4-diazabicycloalkane derivatives of formula (I): any of its enantiomers or any mixture of its enantiomers, or a pharmaceutically-acceptable addition salt thereof, or an N-oxide thereof, and their use in the manufacture of pharmaceutical compositions. The compounds of the invention are found to be cholinergic ligands at the nicotinic acetylcholine receptors and modulators of the monoamine receptors and transporters. 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.

  这项发明涉及新的1,4-二氮杂双环烷衍生物的公式(I)：其任一对映异构体或其对映异构体的混合物，或其药学上可接受的加合盐，或其N-氧化物，以及它们在制造药物组合物中的应用。本发明的化合物被发现在尼古丁酸乙酰胆碱受体上是胆碱能配体，并且是单胺受体和转运体的调节剂。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、内分泌疾病、神经退行性疾病、炎症、疼痛以及由于滥用化学物质终止而引起的戒断症状等各种疾病或紊乱有用。
• Novel 1,4-diazabicycloalkane derivatives, their preparation and use
  申请人：Peters Dan

  公开号：US20060122172A1

  公开（公告）日：2006-06-08

  This invention relates to novel 1,4-diazabicycloalkane derivatives and their use in the manufacture of pharmaceutical compositions. The compounds of the invention are found to be cholinergic ligands at the nicotinic acetylcholine receptors and modulators of the monoamine receptors and transporters. 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1,4-二氮杂双环烷衍生物及其用于制备药物组合物的应用。本发明的化合物被发现是胆碱能受体的胆碱能配体和单胺类受体和转运体的调节剂。由于它们的药理特性，本发明的化合物可用于治疗与中枢神经系统（CNS）和周围神经系统（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，与神经退化相关的疾病或疾病，与炎症、疼痛和化学物质滥用终止引起的戒断症状相关的疾病或疾病治疗。
• NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE
  申请人：NeuroSearch A/S

  公开号：EP1551835A1

  公开（公告）日：2005-07-13
• 1,4-Diazabicycloalkane derivatives, their preparation and use
  申请人：NEUROSEARCH A/S

  公开号：EP1785425B1

  公开（公告）日：2009-03-25
• 新規１，４−ジアザビシクロアルカン誘導体及びその製造方法
  申请人：ニューロサーチ、アクティーゼルスカブ

  公开号：JP4711391B2

  公开（公告）日：2006-01-26