1-(3-bromophenylamino)-7-nitroisoquinoline-4-carbonitrile | 1262533-06-1

• 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: 1-(3-bromophenylamino)-7-nitroisoquinoline-4-carbonitrile
• CAS: 1262533-06-1
• 化学式: C₁₆H₉BrN₄O₂
• 分子量: 369.177
• InChiKey: NJJUTBBXPVEOAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.85
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-(3-bromophenylamino)-7-nitroisoquinoline-4-carbonitrile 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以87%的产率得到7-amino-1-(3-bromophenylamino)isoquinoline-4-carbonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of 7-substituted-1-(3-bromophenylamino)isoquinoline-4-carbonitriles as inhibitors of myosin light chain kinase and epidermal growth factor receptor

  摘要：

  Here we present the synthesis and biological activity of a series of 7-substituted-1-(3-bromophenylamino)isoquinoline-4-carbonitriles as inhibitors of myosin light chain kinase (MLCK) and the epidermal growth factor receptor kinase (EGFR). The inhibitory effect of these molecules was found to be dependent on the nature of the substituents at the 7-position of the isoquinoline scaffold. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.11.007
• 作为产物：
  描述：

  1-chloro-7-nitro-isoquinoline-4-carbonitrile 、 间溴苯胺 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 2.5h， 以460 mg的产率得到1-(3-bromophenylamino)-7-nitroisoquinoline-4-carbonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of 7-substituted-1-(3-bromophenylamino)isoquinoline-4-carbonitriles as inhibitors of myosin light chain kinase and epidermal growth factor receptor

  摘要：

  Here we present the synthesis and biological activity of a series of 7-substituted-1-(3-bromophenylamino)isoquinoline-4-carbonitriles as inhibitors of myosin light chain kinase (MLCK) and the epidermal growth factor receptor kinase (EGFR). The inhibitory effect of these molecules was found to be dependent on the nature of the substituents at the 7-position of the isoquinoline scaffold. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.11.007