3,6-二丙基-N1,N4-二间甲苯-1,2,4,5-四嗪-1,4-二羧酰胺 | 683211-20-3

• 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: 3,6-二丙基-N1,N4-二间甲苯-1,2,4,5-四嗪-1,4-二羧酰胺
• 英文名称: N,N'-bis(m-tolyl)-3,6-dipropyl-1,4-dihydro-s-tetrazine-1,4-dicarboxamide
• 英文别名: 3,6-dipropyl-N1,N4-dim-tolyl-1,2,4,5-tetrazine-1,4-dicarboxamide；1-N,4-N-bis(3-methylphenyl)-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
• CAS: 683211-20-3
• 化学式: C₂₄H₃₀N₆O₂
• 分子量: 434.541
• InChiKey: BUMIRIGTIBTCBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 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-Dipropyl-hexahydro-1,2,4,5-tetrazin 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氧气 作用下， 以 氯仿 为溶剂， 反应 72.0h， 生成 3,6-二丙基-N1,N4-二间甲苯-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：——