6-[3-(1-morpholinyl)-propyloxy]-7-methoxy-4-(trans-2-phenylcyclopropylamino)-quinoline-3-carbonitrile

• 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: 6-[3-(1-morpholinyl)-propyloxy]-7-methoxy-4-(trans-2-phenylcyclopropylamino)-quinoline-3-carbonitrile
• 英文别名: 7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile；7-methoxy-6-(3-morpholin-4-ylpropoxy)-4-[[(1R,2S)-2-phenylcyclopropyl]amino]quinoline-3-carbonitrile
• 化学式: C₂₇H₃₀N₄O₃
• 分子量: 458.56
• InChiKey: YAOFOVYWIFNOKW-XUZZJYLKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  79.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (1R,2S)-2-苯基环丙胺 、 4-氯-7-甲氧基-6-(3-吗啉-4-基-丙氧基)-喹啉-3-腈 在 吡啶盐酸盐 作用下， 以 乙二醇乙醚 为溶剂， 反应 3.0h， 生成 6-[3-(1-morpholinyl)-propyloxy]-7-methoxy-4-(trans-2-phenylcyclopropylamino)-quinoline-3-carbonitrile
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 4-(2-aryl-cyclopropylamino)-quinoline-3-carbonitriles as EGFR tyrosine kinase inhibitors

  摘要：

  Synthesis and structure-activity relationship of a series of 4-(2-aryl-cyclopropylamino)-quinoline-3-carbonitrile derivatives as EGFR inhibitors is described. Compounds 29 and 30 showed potent in vitro inhibitory activity in the enzymatic assay as well as in the functional cellular assay. They are moderately selective against other types of tyrosine kinases. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.071

文献信息

• Synthesis and structure–activity relationship of 4-(2-aryl-cyclopropylamino)-quinoline-3-carbonitriles as EGFR tyrosine kinase inhibitors
  作者：Madhavi Pannala、Sunil Kher、Norma Wilson、John Gaudette、Ila Sircar、Shao-Hui Zhang、Alexei Bakhirev、Guang Yang、Phoebe Yuen、Frank Gorcsan、Naoki Sakurai、Miguel Barbosa、Jie-Fei Cheng

  DOI：10.1016/j.bmcl.2007.07.071

  日期：2007.11

  Synthesis and structure-activity relationship of a series of 4-(2-aryl-cyclopropylamino)-quinoline-3-carbonitrile derivatives as EGFR inhibitors is described. Compounds 29 and 30 showed potent in vitro inhibitory activity in the enzymatic assay as well as in the functional cellular assay. They are moderately selective against other types of tyrosine kinases. (c) 2007 Elsevier Ltd. All rights reserved.