3-[2-(1-oxy-1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-3H-benzo[d][1,2,3]triazin-4-one | 1236008-46-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并-1,2,3-三嗪类化合物
• 英文名称: 3-[2-(1-oxy-1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-3H-benzo[d][1,2,3]triazin-4-one
• 英文别名: 3-[2-(1-Oxido-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]-1,2,3-benzotriazin-4-one；3-[2-(1-oxido-4-aza-1-azoniabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]-1,2,3-benzotriazin-4-one
• CAS: 1236008-46-0
• 化学式: C₁₈H₁₉N₇O₂
• 分子量: 365.395
• InChiKey: ILCDNWZAOADCQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  92.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-3H-benzo[d][1,2,3]triazin-4-one 在 间氯过氧苯甲酸 、 碳酸氢钠 作用下， 以 氯仿 为溶剂， 反应 15.0h， 以45%的产率得到3-[2-(1-oxy-1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-3H-benzo[d][1,2,3]triazin-4-one
  参考文献：
  名称：

  [EN] N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE
  [FR] N-OXYDES DE DÉRIVÉS DE DIAZABICYCLONONYLE PYRIMIDINE ET LEUR UTILISATION MÉDICALE

  摘要：

  这项发明涉及某些二氮杂双环壬基嘧啶衍生物的新型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、疼痛以及化学物质滥用终止引起的戒断症状等各种疾病或疾病具有用处。

  公开号：

  WO2010084184A1

文献信息

• N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE
  申请人：Peters Dan

  公开号：US20120004215A1

  公开（公告）日：2012-01-05

  This invention relates to novel N-oxides of certain diazabicyclononyl pyrimidine 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.

  本发明涉及某些二氮杂双环壬基嘧啶衍生物的新型N-氧化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尼古丁乙酰胆碱受体的胆碱能配体和单胺类受体和转运蛋白的调节剂。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）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、疼痛以及由于滥用化学物质而引起的戒断症状等各种不同疾病或疾患。
• [EN] N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE<br/>[FR] N-OXYDES DE DÉRIVÉS DE DIAZABICYCLONONYLE PYRIMIDINE ET LEUR UTILISATION MÉDICALE
  申请人：NEUROSEARCH AS

  公开号：WO2010084184A1

  公开（公告）日：2010-07-29

  This invention relates to novel N-oxides of certain diazabicyclononyl pyrimidine 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.

  这项发明涉及某些二氮杂双环壬基嘧啶衍生物的新型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、疼痛以及化学物质滥用终止引起的戒断症状等各种疾病或疾病具有用处。