6-chloro-N-(4-ethoxyphenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine | 924892-73-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-chloro-N-(4-ethoxyphenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine
• 英文别名: 6-chloro-2-N-(4-ethoxyphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
• CAS: 924892-73-9
• 化学式: C₁₇H₁₆ClN₅O
• 分子量: 341.8
• InChiKey: ASTQEPYXOJDFFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  吗啉 、 6-chloro-N-(4-ethoxyphenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine 以 丙酮 为溶剂， 反应 3.0h， 以95%的产率得到N-(4-ethoxyphenyl)-6-(morpholin-4-yl)-N'-phenyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis and antitumor evaluation of a novel series of triaminotriazine derivatives

  摘要：

  A series of triaminotriazine derivatives (compounds 5a-f, 6a-x, and 7a-g) was designed, synthesized, and evaluated for their inhibition activities to colorectal cancer (CRC) cell lines (HCT-116 and HT-29). Most of the synthesized compounds demonstrated moderate anti-proliferatory effects on both HCT-116 and HT-29 cell lines at the concentration of 10 mu M. The inhibitory activities against HCT-116 and HT-29 cell lines were discussed to develop the structure-activity relationships of this new series. Compounds 61 and 6o exhibited prominent inhibition activities toward HCT-116, with IC50S of 0.76 and 0.92 mu M, respectively. The in vivo antitumor studies and pharmacokinctics of compound 61 showed that it might be a promising new hit for further development of antitumor agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.11.028
• 作为产物：
  描述：

  苯胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium carbonate 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 5.0h， 生成 6-chloro-N-(4-ethoxyphenyl)-N'-phenyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis and antitumor evaluation of a novel series of triaminotriazine derivatives

  摘要：

  A series of triaminotriazine derivatives (compounds 5a-f, 6a-x, and 7a-g) was designed, synthesized, and evaluated for their inhibition activities to colorectal cancer (CRC) cell lines (HCT-116 and HT-29). Most of the synthesized compounds demonstrated moderate anti-proliferatory effects on both HCT-116 and HT-29 cell lines at the concentration of 10 mu M. The inhibitory activities against HCT-116 and HT-29 cell lines were discussed to develop the structure-activity relationships of this new series. Compounds 61 and 6o exhibited prominent inhibition activities toward HCT-116, with IC50S of 0.76 and 0.92 mu M, respectively. The in vivo antitumor studies and pharmacokinctics of compound 61 showed that it might be a promising new hit for further development of antitumor agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.11.028