2-(Benzo[1,3]dioxol-5-yl)-5-benzylsulfanyl-[1,3,4]oxadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-(Benzo[1,3]dioxol-5-yl)-5-benzylsulfanyl-[1,3,4]oxadiazole
• 英文别名: 2-(1,3-benzodioxol-5-yl)-5-benzylsulfanyl-1,3,4-oxadiazole
• 化学式: C₁₆H₁₂N₂O₃S
• 分子量: 312.3
• InChiKey: PCVJJLYDKUMNIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  82.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  溴甲苯 、 5-苯并[1,3]二氧代-5-基-[1,3,4]噁二唑-2-硫醇 、 三乙胺 、 sodium hydroxide 以 水 、 乙醇 为溶剂， 反应 2.08h， 生成 2-(Benzo[1,3]dioxol-5-yl)-5-benzylsulfanyl-[1,3,4]oxadiazole
  参考文献：
  名称：

  1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use

  摘要：

  本发明涉及新颖的1,4-二氮杂-双环[3.2.2]壬基噁唑衍生物及其在制备药物组合物中的应用。本发明的化合物被发现是尼古丁酸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对与中枢神经系统(CNS)、外周神经系统(PNS)的胆碱能系统相关的疾病或疾患，平滑肌收缩相关的疾病或疾患，内分泌疾病或疾患，神经退行性疾病或疾患，炎症、疼痛以及化学物质滥用终止引起的戒断症状等多种疾病或疾患的治疗可能有用。

  公开号：

  US08101598B2

文献信息

• [EN] NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS<br/>[FR] NOUVEAUX DÉRIVÉS DE 1,4-DIAZA-BICYCLO[3.2.2]NONYLOXADIAZOLYLE UTILES EN TANT QUE MODULATEURS DE RÉCEPTEURS D'ACÉTYLCHOLINE NICOTINIQUES
  申请人：NEUROSEARCH AS

  公开号：WO2009112460A1

  公开（公告）日：2009-09-17

  This invention relates to novel N-oxides of a 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivative 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.

  这项发明涉及一种新颖的1,4-二氮杂双环[3.2.2]壬基噁二唑衍生物的N-氧化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胆碱能受体的胆碱能配体。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、内分泌疾病或紊乱、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多种疾病或紊乱有用。
• NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE
  申请人：Peters Dan

  公开号：US20090118266A1

  公开（公告）日：2009-05-07

  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1,4-二氮杂双环[3.2.2]壬基噁二唑衍生物及其用于制造药物组合物。本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，本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）的胆碱能系统有关的疾病或疾病，平滑肌收缩有关的疾病或疾病，内分泌疾病或疾病，神经退行性疾病或疾病，炎症、疼痛以及由于滥用化学物质的终止而引起的戒断症状可能有用。
• NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS
  申请人：Peters Dan

  公开号：US20110105478A1

  公开（公告）日：2011-05-05

  This invention relates to novel N-oxides of a 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivative 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.

  本发明涉及一种新型1,4-二氮杂双环[3.2.2]壬基噁唑衍生物N-氧化物及其在制备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。由于它们的药理特性，本发明的化合物可能对与中枢神经系统(CNS)、外周神经系统(PNS)的胆碱能系统有关的疾病或紊乱，与平滑肌收缩有关的疾病或紊乱，内分泌疾病或紊乱，神经退行性疾病或紊乱，与炎症、疼痛以及由于滥用化学物质终止而引起的戒断症状有关的疾病或紊乱的治疗可能有用。
• 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives useful as modulator of nicotinic acetylcholine receptors
  申请人：Neurosearch A/S

  公开号：US08106042B2

  公开（公告）日：2012-01-31

  This invention relates to novel N-oxides of a 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivative 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.

  本发明涉及一种新的1,4-二氮杂双环[3.2.2]壬基噁唑衍生物的N-氧化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尼古丁酸乙酰胆碱受体上的胆碱能配体。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、疼痛以及因滥用化学物质而引起的戒断症状等多种疾病或障碍具有用处。
• 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE
  申请人：Peters Dan

  公开号：US20100317654A1

  公开（公告）日：2010-12-16

  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1,4-二氮杂双环[3.2.2]壬基噁唑基衍生物及其在制造药物组合物方面的应用。本发明中的化合物被发现是胆碱能受体的烟碱酸乙酰胆碱受体配体。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）和周围神经系统（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，疼痛和化学物质滥用终止引起的戒断症状等疾病或障碍有用。