2-benzylsulfanyl-5-(5-bromo-furan-2-yl)-[1,3,4]oxadiazole | 959696-85-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-benzylsulfanyl-5-(5-bromo-furan-2-yl)-[1,3,4]oxadiazole
• 英文别名: 2-benzylsulfanyl-5-(5-bromofuran-2-yl)-1,3,4-oxadiazole
• CAS: 959696-85-6
• 化学式: C₁₃H₉BrN₂O₂S
• 分子量: 337.197
• InChiKey: SGCMVNLADOGZJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-benzylsulfanyl-5-(5-bromo-furan-2-yl)-[1,3,4]oxadiazole 、 1,4-二氮杂双环[3.2.2]壬烷 在 N,N-二异丙基乙胺 作用下， 反应 4.0h， 以33%的产率得到4-[5-(5-bromo-furan-2-yl)-[1,3,4]oxadiazol-2-yl]-1,4-diaza-bicyclo[3.2.2]nonane
  参考文献：
  名称：

  WO2007/138037

  摘要：

  公开号：
• 作为产物：
  描述：

  5-(5-bromo-furan-2-yl)-[1,3,4]oxadiazole-2-thiol 、 溴甲苯 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 2.08h， 以92%的产率得到2-benzylsulfanyl-5-(5-bromo-furan-2-yl)-[1,3,4]oxadiazole
  参考文献：
  名称：

  WO2007/138037

  摘要：

  公开号：

文献信息

• 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl compounds and their medical use
  申请人：Neurosearch A/S

  公开号：US08158619B2

  公开（公告）日：2012-04-17

  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]壬基噁唑基衍生物及其在制备药物组成物方面的应用。本发明的化合物被发现是乙酰胆碱受体的胆碱能配体，且是单胺受体和转运体的调节剂。由于其药理学特性，本发明的化合物可用于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患、与平滑肌收缩有关的疾病或疾患、内分泌疾病或疾患、神经退行性疾病或疾患、与炎症、疼痛和化学物质滥用终止引起的戒断症状有关的疾病或疾患。
• 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：EP2194056B1

  公开（公告）日：2011-08-03
• US8158619B2
  申请人：——

  公开号：US8158619B2

  公开（公告）日：2012-04-17