3-aza-bicyclo[3.2.2]nonan-2-one | 5592-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 3-aza-bicyclo[3.2.2]nonan-2-one
• 英文别名: 3-Aza-bicyclo<3.2.2>nonanon-(2)；3-Azabicyclo<3.2.2>nonan-2-on；3-Azabicyclo<3.2.2>nonanon-2；Endoethylen-ε-caprolactam；2,5-Ethanocaprolactam；3-Azabicyclo[3.2.2]nonan-2-one
• CAS: 5592-68-7
• 化学式: C₈H₁₃NO
• mdl: MFCD19217211
• 分子量: 139.197
• InChiKey: AZLWBPIVYJITCR-UHFFFAOYSA-N

物化性质

• 熔点：
  152 °C
• 沸点：
  154-155 °C
• 密度：
  1.044±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-aza-bicyclo[3.2.2]nonan-2-one 在 盐酸 作用下， 生成 4-(aminomethyl)cyclohexanecarboxylic acid
  参考文献：
  名称：

  Reinisch,G. et al., Chemische Berichte, 1966, vol. 99, p. 856 - 861

  摘要：

  DOI：

文献信息

• [EN] NOVEL DIAZA-BICYCLONONYL-PHENYL DERIVATIVES AND THEIR MEDICAL USE<br/>[FR] NOUVEAUX DÉRIVÉS DE DIAZA-BICYCLONONYL-PHÉNYLE ET LEURS APPLICATIONS MÉDICALES
  申请人：NEUROSEARCH AS

  公开号：WO2010063784A1

  公开（公告）日：2010-06-10

  This invention relates to novel diazabicyclononyl-phenyl 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.

  这项发明涉及新型的二氮杂双环壬基苯衍生物及其在制造药物组合物中的应用。本发明的化合物被发现是胆碱能受体的胆碱能配体，同时也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）、平滑肌收缩有关的疾病或障碍，内分泌疾病或障碍，神经退行性疾病或障碍，炎症有关的疾病或障碍，疼痛以及由滥用化学物质终止而引起的戒断症状等多种疾病或障碍具有用处。
• [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：NeuroSearch A/S

  公开号：EP1551835A1

  公开（公告）日：2005-07-13
• NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONANE DERIVATIVES AND THEIR MEDICAL USE
  申请人：NEUROSEARCH A/S

  公开号：EP2029594A1

  公开（公告）日：2009-03-04
• [EN] NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONANE DERIVATIVES AND THEIR MEDICAL USE<br/>[FR] NOUVEAUX DÉRIVÉS DE 1,4-DIAZA-BICYCLO[3.2.2]NONANE ET LEUR UTILISATION MÉDICALE
  申请人：NEUROSEARCH AS

  公开号：WO2007135120A1

  公开（公告）日：2007-11-29

  [EN] This invention relates to novel 1,4-diaza-bicyclo[3.2.2]nonane derivatives, which 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.
  [FR] L'invention concerne de nouveaux dérivés de 1,4-diaza-bicyclo[3.2.2]nonane, dont on a constaté qu'ils étaient des ligands cholinergiques pour les récepteurs nicotiniques de l'acétylcholine et des modulateurs des récepteurs et des véhicules de la monoamine. Compte tenu de leur profil pharmacologique, les composés de l'invention peuvent convenir pour le traitement de maladies et de troubles aussi divers que ceux en rapport avec le système cholinergique du système nerveux central, du système nerveux périphérique, de maladies ou de troubles relatifs à la contraction des muscles lisses, de maladies ou de troubles endocriniens, de maladies ou de troubles en rapport avec la neurodégénérescence, ainsi que de maladies ou de troubles en rapport avec une inflammation, une douleur ou des symptômes de sevrage provoqués par l'arrêt de l'abus de substances chimiques.