3,6-Diaethyl-hexahydro-1,2,4,5-tetrazin | 13717-83-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,6-Diaethyl-hexahydro-1,2,4,5-tetrazin
• 英文别名: 3,6-Diethyl-1,2,4,5-tetrazinane
• CAS: 13717-83-4
• 化学式: C₆H₁₆N₄
• 分子量: 144.22
• InChiKey: GMHIDKBRWJOKGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,6-Diaethyl-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 45.0h， 生成 3,6-二乙基-N1,N4-双(3-甲氧基苯基)-1,2,4,5-四嗪-1,4-二羧酰胺
  参考文献：
  名称：

  Hu, Weixiao; Shi, Haibo; Yuan, Qing, Journal of Chemical Research, 2005, # 2, p. 91 - 93

  摘要：

  DOI：
• 作为产物：
  描述：

  丙醛 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 3,6-Diaethyl-hexahydro-1,2,4,5-tetrazin
  参考文献：
  名称：

  3,6-二烷基-1,6-二氢-s-四嗪的简便制备

  摘要：

  摘要 1,6-二氢-s-四嗪类化合物 1，在杂环的 3-位和 6-位具有多种取代基，已被合成，由于它们的同芳香性和潜在的反应性，已经引起了越来越多的关注。更多的兴趣 (Sauer, J. 1,2,4,5-Tetraazines. In Comprehensive Heterocyclic Chemistry II; Boultou, AJ, Ed.; Elsevier: Oxford, UK, 1996; Vol. 6, 901; Neunhoeffer, H In Comprehensive Heterocyclic化学 I；Katritzky, A., Ed.；Pergamon Press Ltd.：德意志联邦共和国，1984；第 3 卷，545）。

  DOI：

  10.1081/scc-120022164

文献信息

• Convenient Preparation of 3,6-Dialkyl-1,6-dihydro-<i>s</i>-tetrazines
  作者：Yaquan Sun、Weixiao Hu、Qing Yuan

  DOI：10.1081/scc-120022164

  日期：2003.1.8

  as 1, with a large variety of substituents in the 3- and 6-position of the heterocycle, have been synthesized, and due to their homoaromaticities and their potential reactivities, have aroused more and more interests (Sauer, J. 1,2,4,5-Tetrazines. In Comprehensive Heterocyclic Chemistry II; Boultou, A.J., Ed.; Elsevier: Oxford, UK, 1996; Vol. 6, 901; Neunhoeffer, H In Comprehensive Heterocyclic Chemistry

  摘要 1,6-二氢-s-四嗪类化合物 1，在杂环的 3-位和 6-位具有多种取代基，已被合成，由于它们的同芳香性和潜在的反应性，已经引起了越来越多的关注。更多的兴趣 (Sauer, J. 1,2,4,5-Tetraazines. In Comprehensive Heterocyclic Chemistry II; Boultou, AJ, Ed.; Elsevier: Oxford, UK, 1996; Vol. 6, 901; Neunhoeffer, H In Comprehensive Heterocyclic化学 I；Katritzky, A., Ed.；Pergamon Press Ltd.：德意志联邦共和国，1984；第 3 卷，545）。
• 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：——