7-(3-氯丙氧基)-4-羟基-6-硝基-3-喹啉腈 | 501684-27-1

• 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
• 中文名称: 7-(3-氯丙氧基)-4-羟基-6-硝基-3-喹啉腈
• 英文名称: 7-(3-chloro-propoxy)-4-hydroxy-6-nitroquinoline-3-carbonitrile
• 英文别名: 3-Quinolinecarbonitrile, 7-(3-chloropropoxy)-4-hydroxy-6-nitro-；7-(3-chloropropoxy)-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
• CAS: 501684-27-1
• 化学式: C₁₃H₁₀ClN₃O₄
• 分子量: 307.693
• InChiKey: LGGMNEWAUUZZQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-(3-氯丙氧基)-4-羟基-6-硝基-3-喹啉腈 在 三氯氧磷 作用下， 以54%的产率得到4-chloro-7-(3-chloropropoxy)-6-nitroquinoline-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
• 作为产物：
  描述：

  (E)-2-Cyano-3-(3-methoxy-4-nitro-phenylamino)-acrylic acid ethyl ester 在 吡啶盐酸盐 、 potassium carbonate 作用下， 以 二苯醚 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-(3-氯丙氧基)-4-羟基-6-硝基-3-喹啉腈
  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

• 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.