N-(4-((3-chlorophenyl)amino)quinazolin-6-yl)cyclohexanecarboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(4-((3-chlorophenyl)amino)quinazolin-6-yl)cyclohexanecarboxamide
• 英文别名: N-[4-(3-chloroanilino)quinazolin-6-yl]cyclohexanecarboxamide
• 化学式: C₂₁H₂₁ClN₄O
• 分子量: 380.877
• InChiKey: XLEPYGXNYYOTII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-amino-4-[(3-chlorophenyl)amino]quinazoline 、 环己甲酸 在 吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 反应 12.0h， 以82%的产率得到N-(4-((3-chlorophenyl)amino)quinazolin-6-yl)cyclohexanecarboxamide
  参考文献：
  名称：

  Novel conjugates of endoperoxide and 4-anilinoquinazoline as potential anticancer agents

  摘要：

  In the present study, endoperoxide and 4-anilinognazoline were conjugated to obtain a series of compounds. These conjugates exhibited high antiproliferative potency against a number of cancer cell lines, including the epidermal growth factor receptor (EGFR) L858R/T790M mutant cell. Compound 5 was selected as a representative for mechanistic study. Further experiments revealed the conjugate's reactive oxygen species (ROS) generating ability, apoptosis inducing activity and involvement in EGFR downstream signaling pathways. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.02.023

文献信息

• Novel conjugates of endoperoxide and 4-anilinoquinazoline as potential anticancer agents
  作者：Jing Yang、Zhengchao Tu、Xin Xu、Jinfeng Luo、Xing Yan、Chongzhao Ran、Xinliang Mao、Ke Ding、Chunhua Qiao

  DOI：10.1016/j.bmcl.2017.02.023

  日期：2017.3

  In the present study, endoperoxide and 4-anilinognazoline were conjugated to obtain a series of compounds. These conjugates exhibited high antiproliferative potency against a number of cancer cell lines, including the epidermal growth factor receptor (EGFR) L858R/T790M mutant cell. Compound 5 was selected as a representative for mechanistic study. Further experiments revealed the conjugate's reactive oxygen species (ROS) generating ability, apoptosis inducing activity and involvement in EGFR downstream signaling pathways. (C) 2017 Elsevier Ltd. All rights reserved.