1-(4-((6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl)oxy)phenyl)-3-(4-oxo-2-(pyridin-4-yl)thiazolidin-3-yl)urea

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-((6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl)oxy)phenyl)-3-(4-oxo-2-(pyridin-4-yl)thiazolidin-3-yl)urea
• 英文别名: 1-[4-[6-Methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-oxo-2-pyridin-4-yl-1,3-thiazolidin-3-yl)urea；1-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-oxo-2-pyridin-4-yl-1,3-thiazolidin-3-yl)urea
• 化学式: C₃₂H₃₄N₆O₆S
• 分子量: 630.725
• InChiKey: BDOPOUIWMXIWHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  45
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  153
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-氯-6-甲氧基-7-(3-吗啉丙氧基)喹啉 在 吡啶 、 盐酸 、 四氯化硅 、 铁粉 、 caesium carbonate 、 一水合肼 、 溶剂黄146 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 、 二氯甲烷 、 水 、 异丙醇 、 乙腈 为溶剂， 反应 23.1h， 生成 1-(4-((6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl)oxy)phenyl)-3-(4-oxo-2-(pyridin-4-yl)thiazolidin-3-yl)urea
  参考文献：
  名称：

  Identification of novel N-(2-aryl-1, 3-thiazolidin-4-one)-N-aryl ureas showing potent multi-tyrosine kinase inhibitory activities

  摘要：

  A total of 29 novel compounds bearing N-1-(2-aryl-1, 3-thiazolidin-4-one)-N-3-aryl ureas were designed, synthesized and evaluated for their biological activities. The structure-activity relationships (SARs) and binding modes of this series of compounds were clarified together. Compound 29b was identified possessing high potency against multi-tyrosine kinases including Ron, c-Met, c-Kit, KDR, Src and IGF-1R, etc. In vitro antiproliferation and cytotoxicity of compound 29b against A549 cancer cell line were confirmed by IncuCyte live-cell imaging. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.01.061

文献信息

• Identification of novel N-(2-aryl-1, 3-thiazolidin-4-one)-N-aryl ureas showing potent multi-tyrosine kinase inhibitory activities
  作者：Baohui Qi、Ying Yang、Huan He、Xupeng Yue、Yuting Zhou、Xing Zhou、Yuying Chen、Min Liu、Anmian Zhang、Fachang Wei

  DOI：10.1016/j.ejmech.2018.01.061

  日期：2018.2

  A total of 29 novel compounds bearing N-1-(2-aryl-1, 3-thiazolidin-4-one)-N-3-aryl ureas were designed, synthesized and evaluated for their biological activities. The structure-activity relationships (SARs) and binding modes of this series of compounds were clarified together. Compound 29b was identified possessing high potency against multi-tyrosine kinases including Ron, c-Met, c-Kit, KDR, Src and IGF-1R, etc. In vitro antiproliferation and cytotoxicity of compound 29b against A549 cancer cell line were confirmed by IncuCyte live-cell imaging. (C) 2018 Elsevier Masson SAS. All rights reserved.