2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-ylamine | 1122031-43-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-ylamine
• 英文别名: 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-amine
• CAS: 1122031-43-9
• 化学式: C₁₁H₁₇N₅
• 分子量: 219.289
• InChiKey: RXSWANRYJZKWIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 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：
  58.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-ylamine 、 2-硝基苯甲酰氯 在 四氢呋喃 、 乙醇 作用下， 以 四氢呋喃 为溶剂， 反应 18.75h， 生成 N-[2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-2-nitro-benzamide hydrochloride
  参考文献：
  名称：

  NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE

  摘要：

  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。

  公开号：

  US20110046118A1
• 作为产物：
  描述：

  3-奎宁环酮盐酸盐 在 palladium 10% on activated carbon lithium aluminium tetrahydride 、 PPA 、 盐酸羟胺 、 氢气 、 sodium acetate 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 溶剂黄146 为溶剂， 反应 23.0h， 生成 2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-ylamine
  参考文献：
  名称：

  WO2007/138039

  摘要：

  公开号：
• 作为试剂：
  描述：

  4-(5-nitro-pyrimidin-2-yl)-1,4-diaza-bicyclo[3.2.2]nonane 、 2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-ylamine 、 苯甲酰氯 在 钯 氢气 、 2-(1,4-diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-ylamine 、 乙醇 、 title product 、 盐酸 作用下， 以 乙醇 为溶剂， 反应 15.17h， 生成 N-[2-(1,4-Diaza-bicyclo[3.2.2]non-4-yl)-pyrimidin-5-yl]-benzamide hydrochloric acid salt
  参考文献：
  名称：

  NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVE AND ITS MEDICAL USE

  摘要：

  本发明涉及一种新型1,4-二氮杂双环[3.2.2]壬基嘧啶衍生物及其在制造药物组合物中的用途。该发明的化合物被发现是一种尼古丁酸乙酰胆碱受体的胆碱能配体。由于其药理学特性，该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疾病有用，与平滑肌收缩有关的疾病或疾病，内分泌疾病或疾病，与神经退行性疾病或疾病有关的疾病或疾病，与炎症，疼痛以及由滥用化学物质终止引起的戒断症状有关的疾病或疾病。

  公开号：

  US20090181984A1

文献信息

• [EN] NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL HETEROARYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] NOUVEAUX DÉRIVÉS DE 1,4-DIAZA-BICYCLO[3.2.2]NONYL HÉTÉROARYLE UTILES EN TANT QUE LIGANDS DES RÉCEPTEURS NICOTINIQUES DE L'ACÉTYLCHOLINE
  申请人：NEUROSEARCH AS

  公开号：WO2009024517A1

  公开（公告）日：2009-02-26

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

  这项发明涉及新颖的1,4-二氮杂双环[3.2.2]壬基杂环芳烃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是胆碱能配体，作用于尼古丁乙酰胆碱受体。由于其药理特性，该发明的化合物可能有助于治疗与中枢神经系统（CNS）的胆碱系统相关的疾病或紊乱，外周神经系统（PNS），与平滑肌收缩相关的疾病或紊乱，内分泌疾病或紊乱，与神经退行性相关的疾病或紊乱，与炎症、疼痛以及由于滥用化学物质终止而引起的戒断症状相关的疾病或紊乱。
• [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。
• [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 À DES FINS MÉDICALES
  申请人：NEUROSEARCH AS

  公开号：WO2009062989A1

  公开（公告）日：2009-05-22

  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.

  该发明涉及新型1,4-二氮杂双环[3.2.2]壬基嘧啶衍生物及其在制造药物组合物中的应用。该发明的化合物被发现为胆碱能受体的胆碱能配体，并且是单胺受体和转运体的调节剂。由于它们的药理特性，该发明的化合物可能对治疗多种与中枢神经系统（CNS）的胆碱能系统、外周神经系统（PNS）、平滑肌收缩、内分泌疾病或紊乱、神经退行性疾病、与炎症相关的疾病或紊乱、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紊乱具有用处。
• [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。
• NOVEL1,4-DIAZA-BICYCLO[3.2.2]NONYL HETEROARYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS
  申请人：Peters Dan

  公开号：US20100210625A1

  公开（公告）日：2010-08-19

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

  本发明涉及新颖的1,4-二氮杂双环[3.2.2]壬基杂环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乙酰胆碱受体的胆碱能配体。由于其药理学特性，本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紊乱，平滑肌收缩相关的疾病或紊乱，内分泌疾病或紊乱，神经退行性疾病或紊乱，炎症、疼痛，以及由于滥用化学物质而引起的戒断症状的治疗可能有用。