(4aR,7S,7aR)-(Octahydro-[2]pyrindin-7-yl)amine; hydrochloride | 140211-11-6

• 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: (4aR,7S,7aR)-(Octahydro-[2]pyrindin-7-yl)amine; hydrochloride
• 英文别名: (4AR,7S,7aR)-octahydro-1H-cyclopenta[c]pyridin-7-amine hydrochloride；(4aR,7S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride
• CAS: 140211-11-6
• 化学式: C₈H₁₆N₂*2ClH
• 分子量: 213.15
• InChiKey: RZRJINQXEMFKCU-MWDCIYOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.75
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.05
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-环丙基-6,7,8-三氟-4-氧代-1,4-二氢喹啉-3-羧酸 、 (4aR,7S,7aR)-(Octahydro-[2]pyrindin-7-yl)amine; hydrochloride 在 盐酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 生成 7-<(1R^*,6R^*,9S^*)-9-amino-3-azabicyclo<4.3.0>nonan-3-yl>-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid hydrochloride
  参考文献：
  名称：

  Synthesis and antibacterial activity of new 7-(aminoazabicycloalkanyl)quinolonecarboxylic acids

  摘要：

  A series of novel 7-[amino-substituted azabicycloalkanyl]-6-fluoro-1-substituted quinolinecarboxylic acids (18-53) have been prepared and their antibacterial activities evaluated. These compounds are characterized structurally by a new amino-substituted azabicyclo[3.3.0]octane,-[4.3.0]nonane and -[5.3.0]decane ring systems at the 7-position of quinolonecarboxylic acids. To compare the biological activities of enantiomers, (+)-7[(1S, 5R)- and (-)-7[(1R, 5S)-1-aminomethyl-3-azabicyclo[3.3.0]-octan-3-yl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolonecarboxylic acid hydrochloride (43, 44) were synthesized and evaluated for antibacterial activity. Compound 43 was more potent than 44 against both Gram-positive and Gram-negative organisms. The structure-activity relationships of these quinolonecarboxylic acids are also discussed.

  DOI：

  10.1016/0223-5234(91)90131-6