N-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-2-nitro-benzamide | 1153645-37-4

• 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: N-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-2-nitro-benzamide
• 英文别名: N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]-2-nitrobenzamide
• CAS: 1153645-37-4
• 化学式: C₁₈H₂₀N₆O₃
• 分子量: 368.395
• InChiKey: ZRSJESNVHSDWLH-UHFFFAOYSA-N

物化性质

• 密度：
  1.42±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-2-nitro-benzamide 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以61%的产率得到2-amino-N-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-benzamide
  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
• 作为产物：
  描述：

  2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-ylamine 、 2-硝基苯甲酰氯 以 四氢呋喃 为溶剂， 反应 15.75h， 生成 N-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-2-nitro-benzamide
  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 À DES FINS MÉDICALES

  摘要：

  这项发明涉及具有结构式（I）的新型1,4-二氮杂双环[3.2.2]壬基嘧啶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烟碱乙酰胆碱受体的胆碱能配体，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、炎症有关的疾病或紊乱、疼痛以及由于滥用化学物质终止而导致的戒断症状等多种疾病或紊乱具有用处。

  公开号：

  WO2009062987A1

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：US20110046118A1

  公开（公告）日：2011-02-24

  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.

  本发明涉及式(I)的新型1,4-二氮杂双环[3.2.2]壬基嘧啶衍生物及其在制备药物组合物方面的应用。该发明的化合物被发现为尼古丁乙酰胆碱受体的胆碱能配体和单胺类受体及转运体调节剂。由于它们的药理特性，该发明的化合物可能对与中枢神经系统(CNS)和外周神经系统(PNS)的胆碱能系统有关的疾病或障碍、与平滑肌收缩有关的疾病或障碍、内分泌疾病或障碍、神经退行性疾病或障碍、与炎症有关的疾病或障碍、疼痛和由于滥用化学物质的终止而引起的戒断症状的治疗可能有用。
• 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。
• 1,4-diaza-bicyclo[3.2.2]nonyl pyrimidine derivatives and their medical use
  申请人：Neurosearch A/S

  公开号：US08343960B2

  公开（公告）日：2013-01-01

  This invention relates to novel 1,4-diaza-bicyclo[3.2.2]nonyl 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.

  本发明涉及新型1,4-二氮杂双环[3.2.2]壬基嘧啶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在尼古丁乙酰胆碱受体上是胆碱能配体，并且是单胺类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、疼痛以及由于停止滥用化学物质而引起的戒断症状的治疗可能有用。
• 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