3-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-3H-quinazolin-4-one | 1153645-39-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-3H-quinazolin-4-one
• 英文别名: 3-[2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]quinazolin-4-one
• CAS: 1153645-39-6
• 化学式: C₁₉H₂₀N₆O
• 分子量: 348.407
• InChiKey: LIMWCEWTIXOMFX-UHFFFAOYSA-N

物化性质

• 沸点：
  581.7±60.0 °C(predicted)
• 密度：
  1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  64.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲酸 、 2-amino-N-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-benzamide 在 氨 作用下， 以 水 为溶剂， 反应 1.0h， 生成 3-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-3H-quinazolin-4-one
  参考文献：
  名称：

  [EN] NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE
  [FR] NOUVEAUX DÉRIVÉS DE 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE ET LEUR UTILISATION MÉDICALE

  摘要：

  这项发明涉及到新型1,4-二氮杂双环[3.2.2]壬基嘧啶衍生物的化学式(I)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毒蕈碱乙酰胆碱受体的胆碱能配体，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：

  WO2009062988A1

文献信息

• NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE
  申请人：Peters Dan

  公开号：US20100298307A1

  公开（公告）日：2010-11-25

  This invention relates to novel 1,4-diaza-bicyclo[3.2.2]nonyl pyrimidine derivatives of formula (I) 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.

  本发明涉及一种新型的1,4-二氮杂双环[3.2.2]壬基嘧啶衍生物（I式），以及它们在制造药物组成物方面的应用。本发明的化合物被发现是烟碱乙酰胆碱受体的胆碱能配体，以及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）和周围神经系统（PNS）的胆碱能系统相关的疾病或疾病，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，疼痛以及由于化学物质滥用终止而引起的戒断症状等多种疾病或疾病具有用处。
• EP2209783B1
  申请人：——

  公开号：EP2209783B1

  公开（公告）日：2016-03-16
• US8343960B2
  申请人：——

  公开号：US8343960B2

  公开（公告）日：2013-01-01
• [EN] NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE<br/>[FR] NOUVEAUX DÉRIVÉS DE 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE ET LEUR UTILISATION MÉDICALE
  申请人：NEUROSEARCH AS

  公开号：WO2009062988A1

  公开（公告）日：2009-05-22

  This invention relates to novel 1,4-diaza-bicyclo[3.2.2]nonyl pyrimidine derivatives of formula (I) 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.

  这项发明涉及到新型1,4-二氮杂双环[3.2.2]壬基嘧啶衍生物的化学式(I)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毒蕈碱乙酰胆碱受体的胆碱能配体，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。