6,7-diamino-4-oxo-1-(2-trimethylsilanyl-ethoxymethyl)-1,4-dihydro-quinoline-3-carbonitrile | 348617-34-5

• 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: 6,7-diamino-4-oxo-1-(2-trimethylsilanyl-ethoxymethyl)-1,4-dihydro-quinoline-3-carbonitrile
• 英文别名: 6,7-Diamino-4-oxo-1-(2-trimethylsilylethoxymethyl)quinoline-3-carbonitrile
• CAS: 348617-34-5
• 化学式: C₁₆H₂₂N₄O₂Si
• 分子量: 330.462
• InChiKey: KXTWFAGYRKYDMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  511.0±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6,7-diamino-4-oxo-1-(2-trimethylsilanyl-ethoxymethyl)-1,4-dihydro-quinoline-3-carbonitrile 在 咪唑 、 草酰氯 、 吡啶盐酸盐 作用下， 以 乙二醇乙醚 为溶剂， 生成 8-(2-chloro-5-methoxyphenylamino)imidazo[4,5-g]quinoline-7-carbonitrile
  参考文献：
  名称：

  8-Anilinoimidazo[4,5-g]quinoline-7-carbonitriles as Src Kinase Inhibitors

  摘要：

  A series of 8-anilinoimidazo[4,5-g]quinoline-7-carbonitriles was synthesized and evaluated as Src kinase inhibitors. Several aniline substituents were surveyed, as well as water-solubilizing groups at the C-2 and N-3 positions. Potent Src inhibitors were identified, with N-3 providing the best position for an additional water-solubilizing group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00524-3
• 作为产物：
  描述：

  7-氯-6-硝基-4-氧代-1,4-二氢喹啉-3-羧酸 在 palladium on activated charcoal sodium azide 、 三聚氯氰 、 氢气 、 sodium hydride 、 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6,7-diamino-4-oxo-1-(2-trimethylsilanyl-ethoxymethyl)-1,4-dihydro-quinoline-3-carbonitrile
  参考文献：
  名称：

  8-Anilinoimidazo[4,5-g]quinoline-7-carbonitriles as Src Kinase Inhibitors

  摘要：

  A series of 8-anilinoimidazo[4,5-g]quinoline-7-carbonitriles was synthesized and evaluated as Src kinase inhibitors. Several aniline substituents were surveyed, as well as water-solubilizing groups at the C-2 and N-3 positions. Potent Src inhibitors were identified, with N-3 providing the best position for an additional water-solubilizing group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00524-3

文献信息

• Tricyclic protein kinase inhibitors
  申请人：American Home Products Corporation

  公开号：US20010051620A1

  公开（公告）日：2001-12-13

  This invention provides compounds of formula 1, having the structure 1 which are useful as inhibitors of protein tyro sine kinase and are antiproliferative agents.

  这项发明提供了具有结构1的化合物，这些化合物可作为蛋白酪氨酸激酶的抑制剂，是抗增殖剂。