4-(2,4-Dichloro-5-methoxyphenylamino)-6-(5-((4-methylpiperazin-1-yl)methyl)pyridin-2-yl)quinoline-3-carbonitrile | 1190759-67-1

• 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: 4-(2,4-Dichloro-5-methoxyphenylamino)-6-(5-((4-methylpiperazin-1-yl)methyl)pyridin-2-yl)quinoline-3-carbonitrile
• 英文别名: 4-(2,4-dichloro-5-methoxyanilino)-6-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile
• CAS: 1190759-67-1
• 化学式: C₂₈H₂₆Cl₂N₆O
• 分子量: 533.46
• InChiKey: FKINMQQWMCSSND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  77.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-((6-bromopyridin-3-yl)methyl)-4-methylpiperazine 、 6-bromo-4-(2,4-dichloro-5-methoxyanilino)-3-quinolinecarbonitrile 在 正丁基锂 、 三丁基氯化锡 、 bis-triphenylphosphine-palladium(II) chloride 作用下， 生成 4-(2,4-Dichloro-5-methoxyphenylamino)-6-(5-((4-methylpiperazin-1-yl)methyl)pyridin-2-yl)quinoline-3-carbonitrile
  参考文献：
  名称：

  4-Anilino-7-pyridyl-3-quinolinecarbonitriles as Src kinase inhibitors

  摘要：

  A series of 4-anilino-7-pyridyl-3-quinolinecarbonitriles was prepared as Src kinase inhibitors. A systematic SAR study of substitutions on both the pyridine ring and the 3-quinolinecarbonitrile core established the requirements for optimal activity. The lead compound, 17, showed potent activity in both the Src enzyme assay and cell assays, and demonstrated in vivo anti-tumor activity in a xenograft model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.043

文献信息

• 4-Anilino-7-pyridyl-3-quinolinecarbonitriles as Src kinase inhibitors
  作者：Nan Zhang、Biqi Wu、Diane H. Boschelli、Jennifer M. Golas、Frank Boschelli

  DOI：10.1016/j.bmcl.2009.07.043

  日期：2009.9

  A series of 4-anilino-7-pyridyl-3-quinolinecarbonitriles was prepared as Src kinase inhibitors. A systematic SAR study of substitutions on both the pyridine ring and the 3-quinolinecarbonitrile core established the requirements for optimal activity. The lead compound, 17, showed potent activity in both the Src enzyme assay and cell assays, and demonstrated in vivo anti-tumor activity in a xenograft model. (C) 2009 Elsevier Ltd. All rights reserved.