3,6-二甲基-N1,N4-二苯基-1,2,4,5-四嗪-1,4-二羧酰胺 | 255041-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,6-二甲基-N1,N4-二苯基-1,2,4,5-四嗪-1,4-二羧酰胺
• 英文名称: N,N'-bis-phenyl-3,6-dimethyl-1,4-dihydro-s-tetrazine-1,4-dicarboxamide
• 英文别名: 3,6-dimethyl-N1,N4-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide；3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide
• CAS: 255041-60-2
• 化学式: C₁₈H₁₈N₆O₂
• 分子量: 350.38
• InChiKey: HEOSAQMYCXDPQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  89.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,6-二甲基-1,6-二氢-1,2,4,5-四嗪 、 异氰酸苯酯 在 4-二甲氨基吡啶 作用下， 以 氯仿 为溶剂， 反应 72.0h， 以58%的产率得到3,6-二甲基-N1,N4-二苯基-1,2,4,5-四嗪-1,4-二羧酰胺
  参考文献：
  名称：

  Synthesis and antitumor activity of s -tetrazine derivatives

  摘要：

  Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) muM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) muM have more than 50% inhibition rate to P-388 cancer cell growth. The IC50 of compound 3q for P-388, Bel-7402, MCF-7 and A-549 are 0.6 muM, 0.6 muM, 0.5 muM and 0.7 muM, respectively. So s-tetrazine derivative is a kind of compound which possesses potential antitumor activities and is worth to research further. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.056

文献信息

• Synthesis and antitumor activity of s -tetrazine derivatives
  作者：Wei-Xiao Hu、Guo-Wu Rao、Ya-Quan Sun

  DOI：10.1016/j.bmcl.2003.12.056

  日期：2004.3

  Fifty-five compounds of s-tetrazine derivative including hexahydro-, 1,6-dihydro, 1,4-dihydro-, 1,2-dihydro- and aromatic s-tetrazine were prepared. Their antitumor activities were evaluated in vitro by MTT method for P-388 cell and SRB method for A-549 cell. The results show that there are 9 compounds which in 10(-6) muM have more than 50% inhibition rate to A-549 cancer cell growth, and 7 compounds in 10(-6) muM have more than 50% inhibition rate to P-388 cancer cell growth. The IC50 of compound 3q for P-388, Bel-7402, MCF-7 and A-549 are 0.6 muM, 0.6 muM, 0.5 muM and 0.7 muM, respectively. So s-tetrazine derivative is a kind of compound which possesses potential antitumor activities and is worth to research further. (C) 2003 Elsevier Ltd. All rights reserved.
• Hu, Weixiao; Shi, Haibo; Yuan, Qing, Journal of Chemical Research, 2005, # 2, p. 91 - 93
  作者：Hu, Weixiao、Shi, Haibo、Yuan, Qing、Sun, Yaquan

  DOI：——

  日期：——