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

文献信息

• Identification of novel and potent isoquinoline aminooxazole-Based IMPDH inhibitors
  作者：Ping Chen、Derek Norris、Kristin D. Haslow、T.G. Murali Dhar、William J. Pitts、Scott H. Watterson、Daniel L. Cheney、Donna A. Bassolino、Catherine A. Fleener、Katherine A. Rouleau、Diane L. Hollenbaugh、Robert M. Townsend、Joel C. Barrish、Edwin J. Iwanowicz

  DOI：10.1016/s0960-894x(03)00107-0

  日期：2003.4

  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.