1,4-dihydroquinoline-7-methoxy-6-(3-morpholin-4-yl-propoxy)-4-oxo-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: 1,4-dihydroquinoline-7-methoxy-6-(3-morpholin-4-yl-propoxy)-4-oxo-3-carbonitrile
• 英文别名: 7-methoxy-6-(3-morpholin-4-ylpropoxy)-4-oxo-1H-quinoline-3-carbonitrile
• 化学式: C₁₈H₂₁N₃O₄
• 分子量: 343.382
• InChiKey: HQGIAYCKJCOHQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  83.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,4-dihydroquinoline-7-methoxy-6-(3-morpholin-4-yl-propoxy)-4-oxo-3-carbonitrile 在 磺酰氯 、 N,N-二甲基甲酰胺 作用下， 反应 3.0h， 生成 4-氯-7-甲氧基-6-(3-吗啉-4-基-丙氧基)-喹啉-3-腈
  参考文献：
  名称：

  SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS

  摘要：

  公开号：

  EP1117659B1
• 作为产物：
  描述：

  4-甲氧基-3-(3-(吗啉-4-基)丙氧基)苯甲酸甲酯 在 palladium on activated charcoal 正丁基锂 、 氢气 、 硝酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 生成 1,4-dihydroquinoline-7-methoxy-6-(3-morpholin-4-yl-propoxy)-4-oxo-3-carbonitrile
  参考文献：
  名称：

  Syntheses and EGFR and HER-2 kinase inhibitory activities of 4-anilinoquinoline-3-carbonitriles: analogues of three important 4-anilinoquinazolines currently undergoing clinical evaluation as therapeutic antitumor agents

  摘要：

  The syntheses and biological evaluations of 4-anilinoquinoline-3-carbonitrile analogues of the three clinical lead 4-anilinoquinazolines Iressa(TM), Tarceva(TM), and CI-1033 are described. The EGFR and HER-2 kinase inhibitory activities and the cell growth inhibition of the two series are compared with each other and with the clinical lead EKB-569. Similar activities are observed between these two series. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00598-x

文献信息

• SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS
  申请人：Wyeth Holdings Corporation

  公开号：EP1117659B1

  公开（公告）日：2003-12-03
• SUBSTITUTED 3-CYANO QUINOLINES
  申请人：Wyeth Holdings Corporation

  公开号：EP0973746B1

  公开（公告）日：2003-09-24
• Syntheses and EGFR and HER-2 kinase inhibitory activities of 4-anilinoquinoline-3-carbonitriles: analogues of three important 4-anilinoquinazolines currently undergoing clinical evaluation as therapeutic antitumor agents
  作者：Allan Wissner、M. Brawner Floyd、Sridhar K. Rabindran、Ramaswamy Nilakantan、Lee M. Greenberger、Ru Shen、Yu-Fen Wang、Hwei-Ru Tsou

  DOI：10.1016/s0960-894x(02)00598-x

  日期：2002.10

  The syntheses and biological evaluations of 4-anilinoquinoline-3-carbonitrile analogues of the three clinical lead 4-anilinoquinazolines Iressa(TM), Tarceva(TM), and CI-1033 are described. The EGFR and HER-2 kinase inhibitory activities and the cell growth inhibition of the two series are compared with each other and with the clinical lead EKB-569. Similar activities are observed between these two series. (C) 2002 Elsevier Science Ltd. All rights reserved.