(Z)-1-aza-bicyclo[2.2.2]octan-3-one oxime | 78961-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 英文名称: (Z)-1-aza-bicyclo[2.2.2]octan-3-one oxime
• 英文别名: 1-azabicyclo<2.2.2>octan-3-one oxime；3-oxoquinuclidine oxime；3-Hydroximino-1-azabicyclo<2.2.2>octan；3-Quinuclidinone oxime；(NZ)-N-(1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine
• CAS: 78961-49-6
• 化学式: C₇H₁₂N₂O
• 分子量: 140.185
• InChiKey: QSXHBTDHLNHMLV-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (Z)-1-aza-bicyclo[2.2.2]octan-3-one oxime 以 various solvent(s) 为溶剂， 反应 13.0h， 以25%的产率得到3-oxoquinuclidine oxime
  参考文献：
  名称：

  Synthesis and three-dimensional structure of 2-arylidene-3-oxoquinuclidine oximes

  摘要：

  DOI：

  10.1007/bf00505697
• 作为产物：
  描述：

  3-奎宁环酮盐酸盐 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以83%的产率得到(Z)-1-aza-bicyclo[2.2.2]octan-3-one oxime
  参考文献：
  名称：

  微波辅助贝克曼重排：1,3-二氮杂-双环[3.2.2]壬烷的便捷合成

  摘要：

  摘要 1,3-二氮杂-双环[3.2.2]壬烷等小杂环胺是生物活性分子的关键成分。利用 (Z)-1-氮杂-双环 [2.2.2] 辛基-3-酮肟 (6) 与浓度的关键贝克曼重排方便地合成该化合物。在微波照射下得到 H2SO4。以20%的总产率获得所需化合物(1)。

  DOI：

  10.1080/00397910500377255

文献信息

• [EN] NOVEL DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE<br/>[FR] NOUVEAUX DÉRIVÉS DE DIBENZOFURANYL-OXADIAZOLYL-DIAZABICYCLONONANE, ET UTILISATION MÉDICALE DE CEUX-CI
  申请人：NEUROSEARCH AS

  公开号：WO2010086279A1

  公开（公告）日：2010-08-05

  This invention relates to novel dibenzofuranyl-oxadiazolyl-diazabicyclononane 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.

  这项发明涉及新型的二苯并呋喃基-噁二唑基-二氮杂双环壬烷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 DIAZABICYCLIC ARYL DERIVATIVES<br/>[FR] DERIVES ARYLE DIAZABICYCLIQUES
  申请人：NEUROSEARCH AS

  公开号：WO2004076453A1

  公开（公告）日：2004-09-10

  This invention relates to novel diazabicyclic aryl derivatives which 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二氮杂双环芳基衍生物，发现它们在尼古丁型乙酰胆碱受体上是胆碱能配体。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）的胆碱能系统、外周神经系统（PNS）、平滑肌收缩有关的疾病或疾病、内分泌疾病或疾病、神经退行性疾病或疾病、炎症、疼痛以及由于滥用化学物质而导致的戒断症状有用。
• [EN] DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS<br/>[FR] DERIVES D'ARYLE DIAZABICYCLIQUES CONSTITUANT DES MODULATEURS DES RECEPTEURS CHOLINERGIQUES
  申请人：NEUROSEARCH AS

  公开号：WO2005074940A1

  公开（公告）日：2005-08-18

  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.

  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。
• [EN] DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] DERIVES D'ARYLE DIAZABICYCLIQUE CONSTITUANT DES LIGANDS DU RECEPTEUR DE L'ACETYLCHOLINE NICOTINIQUE
  申请人：NEUROSEARCH AS

  公开号：WO2005075482A1

  公开（公告）日：2005-08-18

  This invention relates to novel diazabicyclic aryl derivatives represented by Formula (I); which 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.

  这项发明涉及一种新颖的二氮杂双环芳基衍生物，其表示为式（I）；发现它们是胆碱能受体上的胆碱能配体。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、疼痛以及因滥用化学物质终止而引起的戒断症状等多种疾病或障碍有用。
• [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。