4-(6-chloro-pyridazin-3-yl)-1,4-diazabicyclo[3.2.2]nonane free base | 273721-87-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(6-chloro-pyridazin-3-yl)-1,4-diazabicyclo[3.2.2]nonane free base
• 英文别名: 4-(6-chloro-3-pyridazinyl)-1,4-diazabicyclo[3.2.2]nonane；4-(6-chloropyridazin-3-yl)-1,4-diazabicyclo[3.2.2]nonane；1,4-Diazabicyclo[3.2.2]nonane, 4-(6-chloro-3-pyridazinyl)-
• CAS: 273721-87-2
• 化学式: C₁₁H₁₅ClN₄
• 分子量: 238.72
• InChiKey: UQZKYGGIRZQDDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(6-chloro-pyridazin-3-yl)-1,4-diazabicyclo[3.2.2]nonane free base 、 苯硫酚 在 caesium carbonate 、 sodium hydroxide 作用下， 以 DMF (N,N-dimethyl-formamide) 、 水 为溶剂， 反应 15.0h， 以93%的产率得到4-(6-phenylsulfanyl-pyridazin-3-yl)-1,4-diaza-bicyclo[3.2.2]nonane
  参考文献：
  名称：

  [EN] DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS
  [FR] DERIVES D'ARYLE DIAZABICYCLIQUES CONSTITUANT DES MODULATEURS DES RECEPTEURS CHOLINERGIQUES

  摘要：

  这项发明涉及新型的二氮杂双环芳基衍生物，发现它们在尼古丁乙酰胆碱受体上是胆碱能配体，并且调节单胺受体和转运体。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、疼痛以及由于滥用化学物质而导致的戒断症状等多种疾病或障碍具有用处。

  公开号：

  WO2005074940A1

文献信息

• [EN] DIMERIC AZACYCLIC COMPOUNDS AND THEIR USE<br/>[FR] NOUVEAUX COMPOSES AZACYCLIQUES DIMERES ET LEUR UTILISATION
  申请人：NEUROSEARCH AS

  公开号：WO2005075479A1

  公开（公告）日：2005-08-18

  This invention relates to azacyclic derivatives according of formula (I) and their use as pharmaceuticals. 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. Formula (I) Aza-X'-A'-Y'-L-Y-A'-X'-Aza Aza:Azabicyclic group A',A':Aromatic monocyclic and/or polycyclic, carbocyclic and /or heterocyclic group Y',Y': Linker or absent (covalent bond) L: Monocyclic or polycyclic, carbocyclic or heterocyclic group or is absent X',X': Linker or absent (covalent bond)

  该发明涉及公式（I）的氮杂环衍生物及其作为药物的用途。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、疼痛以及由化学物质滥用终止引起的戒断症状等多种疾病或紊乱有用。公式（I）：Aza-X'-A'-Y'-L-Y-A'-X'-Aza Aza：氮杂双环基团 A'，A'：芳香单环和/或多环、碳环和/或杂环基团 Y'，Y'：连接基或不存在（共价键） L：单环或多环、碳环或杂环基团或不存在 X'，X'：连接基或不存在（共价键）
• 1,4-diazabicylo&lsqb;3,2,2&rsqb;nonane derivatives, their preparation and their therapeutic application
  申请人：Sanofi-Synthelabo

  公开号：US06407095B1

  公开（公告）日：2002-06-18

  The invention relates to 1,4-diazabicyclo[3.2.2]nonane derivatives, to pharmaceutical compositions containing them, and to methods for the treatment or prevention of disorders associated with a dysfunction of the nicotinic receptors utilizing them.

  本发明涉及1,4-二氮杂双环[3.2.2]壬烷衍生物，含有它们的药物组合物，以及利用它们治疗或预防与尼古丁受体功能障碍相关的疾病的方法。
• Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators
  申请人：Peters Dan

  公开号：US20080227773A1

  公开（公告）日：2008-09-18

  This invention relates to novel diazabicyclic aryl 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 chemicals substances.

  本发明涉及新型的二氮杂双环芳基衍生物，这些衍生物被发现是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）和外周神经系统（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、疼痛以及因滥用化学物质的终止而引起的戒断症状等多种疾病或障碍具有用处。
• DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS
  申请人：PETERS Dan

  公开号：US20100113428A1

  公开（公告）日：2010-05-06

  This invention relates to novel diazabicyclic aryl 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.

  本发明涉及一种新型的二氮杂双环芳基衍生物，其在尼古丁酸乙酰胆碱受体上被发现为胆碱能配体，并且是单胺类受体和转运体的调节剂。由于它们的药理学特性，本发明的化合物可能有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、疼痛以及化学物质滥用终止引起的戒断症状等多种疾病或障碍的治疗。
• Diazabicyclic aryl derivatives as cholinergic receptor modulators
  申请人：Neurosearch A/S

  公开号：US08236793B2

  公开（公告）日：2012-08-07

  This invention relates to novel diazabicyclic aryl 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.

  本发明涉及一种新型的二氮杂双环芳基衍生物，发现它们是乙酰胆碱受体的胆碱能配体，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，本发明的化合物可能对治疗与中枢神经系统（CNS）和外周神经系统（PNS）的胆碱能系统有关的疾病或障碍，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，炎症、疼痛以及因化学物质滥用终止而引起的戒断症状等疾病或障碍具有用处。