4-(5-dibenzofuran-4-yl-[1,3,4]oxadiazol-2-yl)-1,4-diaza-bicyclo[3.2.2]nonane fumarate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 4-(5-dibenzofuran-4-yl-[1,3,4]oxadiazol-2-yl)-1,4-diaza-bicyclo[3.2.2]nonane fumarate
• 英文别名: (E)-but-2-enedioic acid;2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-dibenzofuran-4-yl-1,3,4-oxadiazole
• 化学式: (x)C₄H₄O₄*C₂₁H₂₀N₄O₂
• 分子量: 476.5
• InChiKey: OTCYXKNNQOLRIB-WLHGVMLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.63
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-(5-dibenzofuran-4-yl-[1,3,4]oxadiazol-2-yl)-1,4-diaza-bicyclo[3.2.2]nonane 、 富马酸 以 甲醇 、 乙醚 为溶剂， 以89%的产率得到4-(5-dibenzofuran-4-yl-[1,3,4]oxadiazol-2-yl)-1,4-diaza-bicyclo[3.2.2]nonane fumarate
  参考文献：
  名称：

  [EN] NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE
  [FR] NOUVEAUX DÉRIVÉS DE DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE, ET UTILISATION MÉDICALE DE CEUX-CI

  摘要：

  这项发明涉及新型的二苯并呋喃基-噁二唑基-二氮杂双环壬烷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，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具有用处。

  公开号：

  WO2010086279A1

文献信息

• NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE
  申请人：Peters Dan

  公开号：US20120028968A1

  公开（公告）日：2012-02-02

  This invention relates to novel dibenzofuranyl-oxadiazolyl-diazabicyclononane 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.

  本发明涉及新型的二苯并呋喃基-噁唑啉基-二氮杂双环壬烷衍生物及其在制造药物组合物方面的应用。本发明的化合物被发现是乙酰胆碱受体的胆碱能配体和单胺受体及转运体的调节剂。由于它们的药理特性，本发明的化合物对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病，与平滑肌收缩有关的疾病或疾病，内分泌疾病或疾病，与神经退行性有关的疾病或疾病，与炎症、疼痛和由于化学物质滥用终止而引起的戒断症状等多种疾病或疾病可能有用。
• [EN] NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE<br/>[FR] NOUVEAUX DÉRIVÉS DE DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE, ET UTILISATION MÉDICALE DE CEUX-CI
  申请人：NEUROSEARCH AS

  公开号：WO2010086279A1

  公开（公告）日：2010-08-05

  This invention relates to novel dibenzofuranyl-oxadiazolyl-diazabicyclononane 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苯并呋喃基-噁二唑基-二氮杂双环壬烷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，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具有用处。