4-[5-(4-iodo-phenyl)-[1,3,4]oxadiazol-2-yl]-1,4-diaza-bicyclo[3.2.2]nonane | 959696-91-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[5-(4-iodo-phenyl)-[1,3,4]oxadiazol-2-yl]-1,4-diaza-bicyclo[3.2.2]nonane
• 英文别名: 4-[5-(4-Iodo-phenyl)-[1,3,4]oxadiazol-2-yl]-1,4-diaza-bicyclo-[3.2.2]nonane；2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(4-iodophenyl)-1,3,4-oxadiazole
• CAS: 959696-91-4
• 化学式: C₁₅H₁₇IN₄O
• 分子量: 396.231
• InChiKey: LZYGTDQVWYEGJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  45.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[5-(4-iodo-phenyl)-[1,3,4]oxadiazol-2-yl]-1,4-diaza-bicyclo[3.2.2]nonane 、 苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 Palladacycle copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 15.0h， 以67%的产率得到4-[5-(4-phenylethynylphenyl)-[1,3,4]oxadiazol-2-yl]-1,4-diazabicyclo[3.2.2]nonane
  参考文献：
  名称：

  [EN] NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  [FR] NOUVEAUX DÉRIVÉS DE 1,4-DIAZA-BICYCLO[3.2.2]NONYLE OXADIAZOLYLE UTILES EN TANT QUE LIGANDS DES RÉCEPTEURS NICOTINIQUES DE L'ACÉTYLCHOLINE

  摘要：

  这项发明涉及新颖的1,4-二氮杂双环[3.2.2]壬基噁唑基衍生物及其在制备药物组合物中的应用。该发明的化合物被发现是烟碱型乙酰胆碱受体的胆碱能配体。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、神经退化、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多种疾病或紊乱具有用处。

  公开号：

  WO2009024516A1

文献信息

• NOVAL 1,4-DIAZA-BICLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：Peters Dan

  公开号：US20100280015A1

  公开（公告）日：2010-11-04

  This invention relates to novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl 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. 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1,4-二氮杂-双环[3.2.2]壬基噁唑衍生物及其在制造药物组合物方面的用途。该发明的化合物被发现是乙酰胆碱受体的胆碱能配体。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）和外周神经系统（PNS）的胆碱能系统相关的疾病或疾病，平滑肌收缩相关的疾病或疾病，内分泌疾病或疾病，神经退行性疾病或疾病，炎症相关的疾病或疾病，疼痛和化学物质滥用终止引起的戒断症状可能有用。
• NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE
  申请人：Peters Dan

  公开号：US20100216780A1

  公开（公告）日：2010-08-26

  This invention relates to novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl 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[3.2.2]壬基噁唑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尼古丁乙酰胆碱受体的胆碱能配体，同时也是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疾病、内分泌疾病或疾病、神经退行性疾病或疾病、炎症相关的疾病或疾病、疼痛以及由于滥用化学物质的终止而引起的戒断症状等多种疾病或疾病具有用处。
• 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL COMPOUNDS AND THEIR MEDICAL USE
  申请人：PETERS Dan

  公开号：US20120172353A1

  公开（公告）日：2012-07-05

  This invention relates to novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl 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[3.2.2]壬基噁唑衍生物及其用于制造药物组合物的用途。本发明中的化合物被发现是乙酰胆碱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，本发明中的化合物可能对治疗与中枢神经系统(CNS)、周围神经系统(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等疾病或障碍具有用途。
• Novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use
  申请人：NeuroSearch A/S

  公开号：EP2194056A1

  公开（公告）日：2010-06-09

  This invention relates to novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl 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 1,4-二氮双环[3.2.2]壬基噁二唑基衍生物及其在药物组合物生产中的应用。本发明的化合物是烟碱乙酰胆碱受体的胆碱能配体，也是单胺受体和转运体的调节剂。 由于其药理特性，本发明化合物可用于治疗各种疾病或失调，如与中枢神经系统（CNS）、周围神经系统（PNS）的胆碱能系统有关的疾病或失调、与平滑肌收缩有关的疾病或失调、内分泌疾病或失调、与神经变性有关的疾病或失调、与炎症有关的疾病或失调、疼痛以及终止滥用化学物质引起的戒断症状。
• NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：NeuroSearch A/S

  公开号：EP2190847A1

  公开（公告）日：2010-06-02