5-Allyl-isoquinolin-6-ylamine | 566944-02-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-Allyl-isoquinolin-6-ylamine
• 英文别名: 5-prop-2-enylisoquinolin-6-amine
• CAS: 566944-02-3
• 化学式: C₁₂H₁₂N₂
• 分子量: 184.241
• InChiKey: NQGLNHXFYOXOIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Allyl-isoquinolin-6-ylamine 在 palladium on activated charcoal 氢气 作用下， 生成 5-丙基异喹啉-6-胺
  参考文献：
  名称：

  Identification of novel and potent isoquinoline aminooxazole-Based IMPDH inhibitors

  摘要：

  Screening of our in-house compound collection led to the discovery of 5-bromo-6-amino-2-isoquinoline I as a weak inhibitor of IMPDH. Subsequent optimization of 1 afforded a series of novel 2-isoquinolinoaminooxazole-based inhibitors, represented by 17, with single-digit nanomolar potency against the enzyme. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00107-0
• 作为产物：
  描述：

  6-氨基异喹啉 在 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 作用下， 生成 5-Allyl-isoquinolin-6-ylamine
  参考文献：
  名称：

  Identification of novel and potent isoquinoline aminooxazole-Based IMPDH inhibitors

  摘要：

  Screening of our in-house compound collection led to the discovery of 5-bromo-6-amino-2-isoquinoline I as a weak inhibitor of IMPDH. Subsequent optimization of 1 afforded a series of novel 2-isoquinolinoaminooxazole-based inhibitors, represented by 17, with single-digit nanomolar potency against the enzyme. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00107-0