(3S,4aR,6S,8aR)-6-[4-(1H-Tetrazol-5-yl)-phenyl]-decahydro-isoquinoline-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (3S,4aR,6S,8aR)-6-[4-(1H-Tetrazol-5-yl)-phenyl]-decahydro-isoquinoline-3-carboxylic acid
• 英文别名: (3S,4aR,6S,8aR)-6-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
• 化学式: C₁₇H₂₁N₅O₂
• 分子量: 327.386
• InChiKey: SXLQOFYKBAOYAZ-XQLPTFJDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-溴苯腈 、 ethyl (3S,4aR,8aR)-6-oxo-2-(methoxycarbonyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate 生成 (3S,4aR,6S,8aR)-6-[4-(1H-Tetrazol-5-yl)-phenyl]-decahydro-isoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Structure-activity studies of aryl-spaced decahydroisoquinoline-3-carboxylic acid ampa receptor antagonists

  摘要：

  We report the synthesis and structure activity studies of a series of decahydroisoquinoline AMPA antagonists where the distal acid is joined to the bicyclic ring nucleus with a spacer that contains an aromatic ring. These phenyl and thienyl substituted compounds are characterized as relatively potent AMPA antagoinsts. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00185-6