1-Aza-bicyclo[2.2.1]heptane-4-carboxylic acid; hydrochloride | 119102-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-Aza-bicyclo[2.2.1]heptane-4-carboxylic acid; hydrochloride
• 英文别名: 1-Azabicyclo[2.2.1]heptane-4-carboxylic acid hydrochloride；1-azabicyclo[2.2.1]heptane-4-carboxylic acid;hydrochloride
• CAS: 119102-95-3
• 化学式: C₇H₁₁NO₂*ClH
• 分子量: 177.631
• InChiKey: NARHJPCSRIJUMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.59
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Aza-bicyclo[2.2.1]heptane-4-carboxylic acid; hydrochloride 在 氯化亚砜 作用下， 反应 4.25h， 生成 1-azabicyclo[2.2.1]heptane-4-carbonyl chloride hydrochloride
  参考文献：
  名称：

  Substituent variation in azabicyclic triazole- and tetrazole-based muscarinic receptor ligands

  摘要：

  The effect of variation of the 1-azabicyclic substituent on the novel 1,2,3-triazol-4-yl-, 1,2,4-triazol-1-yl-, tetrazol-5-yl-, and tetrazol-2-yl-based muscarinic receptor ligands ha, been studied, and the exo-azabicyclic[2.2.1]hept-3-yl substituent was found to give the most potent and efficacious compounds. In addition, variation of the second substituent on 1,2,4-triazol-1-yl- and tetrazol-2-yl-based muscarinic receptor ligands has yielded a series of novel compounds with high potencies and efficacies, ranging from full agonists to antagonists. Small lipophilic electron withdrawing substituents give potent but low efficacy compounds, while small polar electron donating substituents give potent and efficacious compounds. The activity of these compounds is described in terms of a model of the receptor involving lipophilic and hydrogen bonding interactions. These compounds provide muscarinic ligands with high potency and a range of efficacies suitable for testing as candidate drugs in the treatment of Alzheimer's disease.

  DOI：

  10.1021/jm00091a007
• 作为产物：
  描述：

  1-氮杂双环[2.2.1]庚烷-4-羧酸乙酯 在 盐酸 作用下， 反应 17.0h， 生成 1-Aza-bicyclo[2.2.1]heptane-4-carboxylic acid; hydrochloride
  参考文献：
  名称：

  Substituent variation in azabicyclic triazole- and tetrazole-based muscarinic receptor ligands

  摘要：

  The effect of variation of the 1-azabicyclic substituent on the novel 1,2,3-triazol-4-yl-, 1,2,4-triazol-1-yl-, tetrazol-5-yl-, and tetrazol-2-yl-based muscarinic receptor ligands ha, been studied, and the exo-azabicyclic[2.2.1]hept-3-yl substituent was found to give the most potent and efficacious compounds. In addition, variation of the second substituent on 1,2,4-triazol-1-yl- and tetrazol-2-yl-based muscarinic receptor ligands has yielded a series of novel compounds with high potencies and efficacies, ranging from full agonists to antagonists. Small lipophilic electron withdrawing substituents give potent but low efficacy compounds, while small polar electron donating substituents give potent and efficacious compounds. The activity of these compounds is described in terms of a model of the receptor involving lipophilic and hydrogen bonding interactions. These compounds provide muscarinic ligands with high potency and a range of efficacies suitable for testing as candidate drugs in the treatment of Alzheimer's disease.

  DOI：

  10.1021/jm00091a007

文献信息

• NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP)
  申请人：CHU Daniel

  公开号：US20090062268A1

  公开（公告）日：2009-03-05

  A compound having the structure set forth in Formula (I): wherein the variables Y, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Compounds described herein are inhibitors of poly(ADP-ribose)polymerase activity. Also described herein are pharmaceutical compositions that include at least one compound described herein and the use of such compounds and pharmaceutical compositions to treat diseases, disorders and conditions that are ameliorated by the inhibition of PARP activity.

  具有以下式（I）所示结构的化合物： 其中变量Y，R1，R2，R3，R4和R5如本文所定义。本文描述的化合物是聚(ADP-核糖)聚合酶活性的抑制剂。本文还描述了包括至少一种本文描述的化合物的药物组合物，以及利用这些化合物和药物组合物治疗通过抑制PARP活性而改善的疾病、疾病和症状。
• [EN] CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS<br/>[FR] DERIVES CARBAMOYLOXY DE MUTILINE ET LEUR UTILISATION EN TANT QU'AGENTS ANTIBACTERIENS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO1997025309A1

  公开（公告）日：1997-07-17

  (EN) Derivatives of mutiline of formula (1A) and pharmaceutically acceptable salts and derivatives thereof, in which R1 is ethyl or vinyl, Y is a carbamoyloxy group, in which the N-atom is unsubstituted, or mono- or di-substituted, are useful in the treatment of bacterial infections.(FR) Dérivés de mutiline représentés par la formule (1A), ainsi que leurs sels et dérivés pharmaceutiquement acceptables, dans laquelle R1 représente éthyle ou vinyle, Y représente un groupe carbamoyloxy, dans lequel l'atome N est non substitué, ou mono ou di-substitué. Ces composés sont utiles dans le traitement d'infections bactériennes.

  (中文) 公式（1A）的多滤青霉素衍生物及其药学上可接受的盐和衍生物，在其中R1为乙基或乙烯基，Y为羰基氧基团，在其中N原子未被取代或被单取代或双取代，可用于治疗细菌感染。
• Bridgehead substituted azabicyclic derivatives
  申请人：BEECHAM GROUP PLC

  公开号：EP0287356B1

  公开（公告）日：1996-01-24
• CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP0874809A1

  公开（公告）日：1998-11-04
• US4971975A
  申请人：——

  公开号：US4971975A

  公开（公告）日：1990-11-20