5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azabicyclo<3.2.1>octane | 119102-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azabicyclo<3.2.1>octane
• 英文别名: 5-(2-methyl-1,3,4-oxadiazol-5yl)-1-azabicyclo [3.2.1]octane；2-(1-Azabicyclo[3.2.1]octan-5-yl)-5-methyl-1,3,4-oxadiazole
• CAS: 119102-29-3
• 化学式: C₁₀H₁₅N₃O
• 分子量: 193.249
• InChiKey: MXUARDYCBBZOOT-UHFFFAOYSA-N

物化性质

• 沸点：
  307.5±44.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-氮杂双环[3.2.1]辛烷-5-羧酸甲酯 在 一水合肼 作用下， 反应 8.0h， 生成 5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azabicyclo<3.2.1>octane
  参考文献：
  名称：

  比较氮杂双环酯和恶二唑作为毒蕈碱受体的配体。

  摘要：

  与阿尔茨海默氏型痴呆症相关的认知缺陷与疾病中胆碱能功能的丧失之间的联系为检查毒蕈碱激动剂作为潜在治疗剂提供了基础。本文描述了新型的氮杂双环甲酯作为毒蕈碱受体配体的设计和合成。用3-甲基-1,2,4-恶二唑环取代甲酯可产生有效的代谢更稳定的毒蕈碱激动剂，能够穿透中枢神经系统。这些化合物相对于相应的甲酯通常显示出改善的亲和力。3-甲基1,2,4-恶二唑7b的亲和力是乙酰胆碱的4倍。关于氮杂双环的大小和几何形状以及杂芳族环的电子性质，讨论了受体亲和力。

  DOI：

  10.1021/jm00113a009

文献信息

• Pesticidal n-substituted azacyclic derivatives
  申请人：Ali F. Syed

  公开号：US20060241098A1

  公开（公告）日：2006-10-26

  Pesticidal compositions comprising a pesticidally effective amount of an N-substituted azacyclic derivative of the formula (I); wherein R, an N-substituted azacycle, and V, Q, X, T and U are defined, as well as their agriculturally acceptable salts, in admixture with at least one agriculturally acceptable extender or adjuvant are disclosed. In addition, methods of controlling pests such as insects and acarids comprising applying said compositions to a locus of crops where control is desired are disclosed.

  本发明公开了杀虫组合物，该组合物包含杀虫有效量的式(I)的N-取代氮杂环衍生物；其中R是N-取代氮杂环，V、Q、X、T和U是定义的，以及它们的农业上可接受的盐，与至少一种农业上可接受的扩展剂或佐剂混合。此外，还公开了控制害虫（如昆虫和螨虫）的方法，包括将所述组合物施用到需要控制的作物部位。
• Bridgehead substituted azabicyclic derivatives
  申请人：BEECHAM GROUP PLC

  公开号：EP0287356B1

  公开（公告）日：1996-01-24
• [EN] PESTCIDAL N-SUBSTITUTED AZACYCLIC DERIVATIVES<br/>[FR] DERIVES AZACYCLIQUES N-SUBSTITUES PESTICIDES
  申请人：FMC CORP

  公开号：WO2005006859A2

  公开（公告）日：2005-01-27

  Pesticidal compositions comprising a pesticidally effective amount of an N-substituted azacyclic derivative of the formula (I); wherein R, an N-substituted azacycle, and V, Q, X, T and U are defined, as well as their agriculturally acceptable salts, in admixture with at least one agriculturally acceptable extender or adjuvant are disclosed. In addition, methods of controlling pests such as insects and acarids comprising applying said compositions to a locus of crops where control is desired are disclosed.
• Comparison of azabicyclic esters and oxadiazoles as ligands for the muscarinic receptor
  作者：Barry S. Orlek、Frank E. Blaney、Frank Brown、Michael S. G. Clark、Michael S. Hadley、John Hatcher、Graham J. Riley、Howard E. Rosenberg、Harry J. Wadsworth、Paul Wyman

  DOI：10.1021/jm00113a009

  日期：1991.9

  function in the disease provides a basis for examining muscarinic agonists as potential therapeutic agents. This paper describes the design and synthesis of novel azabicyclic methyl esters as ligands for the muscarinic receptor. Replacement of the methyl ester by a 3-methyl-1,2,4-oxadiazole ring produces potent metabolically more stable muscarinic agonists capable of penetrating the central nervous system

  与阿尔茨海默氏型痴呆症相关的认知缺陷与疾病中胆碱能功能的丧失之间的联系为检查毒蕈碱激动剂作为潜在治疗剂提供了基础。本文描述了新型的氮杂双环甲酯作为毒蕈碱受体配体的设计和合成。用3-甲基-1,2,4-恶二唑环取代甲酯可产生有效的代谢更稳定的毒蕈碱激动剂，能够穿透中枢神经系统。这些化合物相对于相应的甲酯通常显示出改善的亲和力。3-甲基1,2,4-恶二唑7b的亲和力是乙酰胆碱的4倍。关于氮杂双环的大小和几何形状以及杂芳族环的电子性质，讨论了受体亲和力。