1,4-diaza-bicyclo[3.2.2]nonane-4-carboxylic acid 3-phenoxy-phenyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-diaza-bicyclo[3.2.2]nonane-4-carboxylic acid 3-phenoxy-phenyl ester
• 英文别名: 3-Phenoxyphenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate；(3-phenoxyphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
• 化学式: C₂₀H₂₂N₂O₃
• 分子量: 338.406
• InChiKey: AYCNUZWGWYNLIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-diaza-bicyclo[3.2.2]nonane-4-carboxylic acid 3-phenoxy-phenyl ester 生成 1,4-diaza-bicyclo[3.2.2]nonane-4-carboxylic acid 3-phenoxy-phenyl ester hydrochloride
  参考文献：
  名称：

  Pharmaceutical compositions for the treatment of disorders of the CNS and other disorders

  摘要：

  公开号：

  EP1231212B1
• 作为产物：
  描述：

  (3-Phenoxyphenyl) carbonochloridate 、 1,4-二氮杂双环[3.2.2]壬烷 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 1,4-diaza-bicyclo[3.2.2]nonane-4-carboxylic acid 3-phenoxy-phenyl ester
  参考文献：
  名称：

  1,4-二氮杂双环[3.2.2]壬烷苯基氨基甲酸酯的合成和合成孔径雷达研究–亚型选择性高亲和力α7烟碱乙酰胆碱受体激动剂

  摘要：

  描述了有关α7nAChR激动剂的1,4-二氮杂双环[3.2.2]壬烷苯基氨基甲酸酯系列的双环胺，氨基甲酸酯连接基和芳环的合成和SAR研究。讨论了药物化学策略和SAR的发展，从而将5和7aa鉴定为亚型选择性，高亲和力α7激动剂，作为进一步评估的极好线索，并讨论了突出其潜在潜力的重要理化和药代动力学数据。

  DOI：

  10.1016/j.bmcl.2009.06.059

文献信息

• Pharmaceutical compositions for the treatment of CNS and other discorders
  申请人：Pfizer Inc.

  公开号：US20020177591A1

  公开（公告）日：2002-11-28

  The present invention relates to a method of treating disorders of the central nervous system (CNS) and other disorders in a mammal, including a human, by administering to the mammal a CNS-penetrant &agr;7 nicotinic receptor agonist. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier and a CNS-penetrant &agr;7 nicotinic receptor agonist.

  本发明涉及一种治疗哺乳动物（包括人类）中枢神经系统（CNS）和其他疾病的方法，通过向哺乳动物施用一种穿透中枢神经系统的α7尼古丁受体激动剂。还涉及含有药用载体和穿透中枢神经系统的α7尼古丁受体激动剂的药物组合物。
• Pharmaceutical compositions for the treatment of CNS and other disorders
  申请人：O'Donnell J. Christopher

  公开号：US20060014750A1

  公开（公告）日：2006-01-19

  The present invention relates to a method of treating disorders of the central nervous system (CNS) and other disorders in a mammal, including a human, by administering to the mammal a CNS-penetrant α7 nicotinic receptor agonist. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier and a CNS-penetrant α7 nicotinic receptor agonist.

  本发明涉及一种通过给哺乳动物，包括人类，投与中枢神经系统（CNS）和其他疾病的治疗方法，其中包括给哺乳动物投与一种CNS渗透性α7尼古丁受体激动剂。同时，本发明还涉及含有药用载体和CNS渗透性α7尼古丁受体激动剂的制药组合物。
• Novel Diazabicycloalkane Derivatives and Their Medical Use
  申请人：Peters Dan

  公开号：US20090075983A1

  公开（公告）日：2009-03-19

  This invention relates to novel diaza-bicyclo-alkane 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.

  本发明涉及新型的二氮杂双环烷衍生物，发现它们在尼古丁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，本发明中的化合物可能对治疗多种疾病或障碍有用，包括与中枢神经系统（CNS）和外周神经系统（PNS）的胆碱能系统相关的疾病或障碍、与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、以及由于滥用化学物质的终止而引起的戒断症状。
• Pharmaceutical compositions for the treatment of disorders of the CNS and other disorders
  申请人：Pfizer Products Inc.

  公开号：EP1231212B1

  公开（公告）日：2006-12-20
• Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates – subtype selective, high affinity α7 nicotinic acetylcholine receptor agonists
  作者：Christopher J. O’Donnell、Langu Peng、Brian T. O’Neill、Eric P. Arnold、Robert J. Mather、Steven B. Sands、Alka Shrikhande、Lorraine A. Lebel、Douglas K. Spracklin、Frank M. Nedza

  DOI：10.1016/j.bmcl.2009.06.059

  日期：2009.8

  4-diazabicyclo[3.2.2]nonane phenyl carbamate series of α7 nAChR agonists is described. The development of the medicinal chemistry strategy and SAR which led to the identification of 5 and 7aa as subtype selective, high affinity α7 agonists as excellent leads for further evaluation is discussed, along with key physicochemical and pharmacokinetic data highlighting their lead potential.

  描述了有关α7nAChR激动剂的1,4-二氮杂双环[3.2.2]壬烷苯基氨基甲酸酯系列的双环胺，氨基甲酸酯连接基和芳环的合成和SAR研究。讨论了药物化学策略和SAR的发展，从而将5和7aa鉴定为亚型选择性，高亲和力α7激动剂，作为进一步评估的极好线索，并讨论了突出其潜在潜力的重要理化和药代动力学数据。