6-Methoxy-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-4-(3,4,5-trimethoxy-phenylamino)-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-Methoxy-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-4-(3,4,5-trimethoxy-phenylamino)-quinoline-3-carbonitrile
• 英文别名: 3-Quinolinecarbonitrile 4；6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile
• 化学式: C₂₈H₃₅N₅O₅
• 分子量: 521.616
• InChiKey: VOUVVBUKNLBXGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 在 sodium iodide 作用下， 以 乙二醇二甲醚 为溶剂， 生成 6-Methoxy-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-4-(3,4,5-trimethoxy-phenylamino)-quinoline-3-carbonitrile
  参考文献：
  名称：

  Investigation of the effect of varying the 4-anilino and 7-alkoxy groups of 3-quinolinecarbonitriles on the inhibition of Src kinase activity

  摘要：

  Several 7-alkoxy-4-anilino-3-quinolinecarbonitriles were synthesized and evaluated for Src kinase inhibitory activity. Optimal inhibition of both Src enzymatic and cellular activity was seen with analogues having a 2,4-dichloro-5-methoxyaniline group at C-4. Compound 18, which has a 1-methylpiperidinemethoxy group at C-7, showed in vivo activity in a xenograft model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.001

文献信息

• Investigation of the effect of varying the 4-anilino and 7-alkoxy groups of 3-quinolinecarbonitriles on the inhibition of Src kinase activity
  作者：Diane H. Boschelli、Fei Ye、Biqi Wu、Yanong D. Wang、Ana Carolina Barrios Sosa、Deanna Yaczko、Dennis Powell、Jennifer M. Golas、Judy Lucas、Frank Boschelli

  DOI：10.1016/j.bmcl.2003.07.001

  日期：2003.11

  Several 7-alkoxy-4-anilino-3-quinolinecarbonitriles were synthesized and evaluated for Src kinase inhibitory activity. Optimal inhibition of both Src enzymatic and cellular activity was seen with analogues having a 2,4-dichloro-5-methoxyaniline group at C-4. Compound 18, which has a 1-methylpiperidinemethoxy group at C-7, showed in vivo activity in a xenograft model. (C) 2003 Elsevier Ltd. All rights reserved.