1-[4-(5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)piperazin-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[4-(5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)piperazin-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
• 英文别名: 1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone；1-[4-[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
• 化学式: C₃₃H₃₆N₈O₅
• 分子量: 624.699
• InChiKey: BBUJNKQBGGRMED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  11

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	5,6-bis(4-methoxyphenyl)-3-(methylthio)-1,2,4-triazine	58848-77-4	C18H17N3O2S	339.418

反应信息

• 作为产物：
  描述：

  4,4'-二甲氧基苯酚酯 在 吡啶 、 碳酸氢钠 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.75h， 生成 1-[4-(5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)piperazin-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
  参考文献：
  名称：

  In vitro antitumor activity evaluation of some 1,2,4-triazine derivatives bearing piperazine amide moiety against breast cancer cells

  摘要：

  A series of 1,2,4-triazine derivatives bearing piperazine amide moiety has been synthesized and investigated for their potential anticancer activities. 1-[4-(5,6-Bis(4-subtituted phenyl)-1,2,4-triazin-3-yl) piperazin- 1-yl]-2-[4-(3-substituted phenyl) piperazin-1-yl] ethanone derivative (1-32) compounds were synthesized by a four step synthetic procedure. The activity studies were evaluated using XTT method, BrdU method and flow cytometric analysis on MCF-7 breast cancer cells and NIH/3T3 (mouse embryonic fibroblast cells) healthy cells. Compounds 5 with 3-chlorophenyl and compound 7 with 4-chlorophenyl substitutions were found to be promising antiproliferative agents comparing with an effective anticancer drug, cisplatin. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.10.002

文献信息

• In vitro antitumor activity evaluation of some 1,2,4-triazine derivatives bearing piperazine amide moiety against breast cancer cells
  作者：Leyla Yurttaş、Şeref Demirayak、Sinem Ilgın、Özlem Atlı

  DOI：10.1016/j.bmc.2014.10.002

  日期：2014.11

  A series of 1,2,4-triazine derivatives bearing piperazine amide moiety has been synthesized and investigated for their potential anticancer activities. 1-[4-(5,6-Bis(4-subtituted phenyl)-1,2,4-triazin-3-yl) piperazin- 1-yl]-2-[4-(3-substituted phenyl) piperazin-1-yl] ethanone derivative (1-32) compounds were synthesized by a four step synthetic procedure. The activity studies were evaluated using XTT method, BrdU method and flow cytometric analysis on MCF-7 breast cancer cells and NIH/3T3 (mouse embryonic fibroblast cells) healthy cells. Compounds 5 with 3-chlorophenyl and compound 7 with 4-chlorophenyl substitutions were found to be promising antiproliferative agents comparing with an effective anticancer drug, cisplatin. (C) 2014 Elsevier Ltd. All rights reserved.