3,6-di(2-pyrazinyl)-1,4-dihydro-1,2,4,5-tetrazine | 623150-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3,6-di(2-pyrazinyl)-1,4-dihydro-1,2,4,5-tetrazine
• 英文别名: dpztzH2；3,6-di(pyrazin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine
• CAS: 623150-16-3
• 化学式: C₁₀H₈N₈
• 分子量: 240.227
• InChiKey: NYSGNDNPSXLQSV-UHFFFAOYSA-N

物化性质

• 沸点：
  433.7±55.0 °C(Predicted)
• 密度：
  1?+-.0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,6-di(2-pyrazinyl)-1,4-dihydro-1,2,4,5-tetrazine 在 溶剂黄146 、 sodium nitrite 作用下， 以39%的产率得到3,6-di(pyrazin-2-yl)-1,2,4,5-tetrazine
  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
• 作为产物：
  描述：

  2-氰基吡嗪 在 sulfur 、 肼 作用下， 生成 3,6-di(2-pyrazinyl)-1,4-dihydro-1,2,4,5-tetrazine
  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

• Two new photoluminescent d10 coordination polymers constructed with carboxylates and 2-(5-(pyrazin-2-yl)-1H-1,2,4-triazol-3-yl)pyrazine generated in situ
  作者：Meng-Xia Peng、Cui-Jin Li、Ming-Liang Tong

  DOI：10.1016/j.inoche.2008.03.012

  日期：2008.6

  Hydrothermal reaction of Cd(OAc)(2)center dot 4H(2)O with 3,6-di(2-pyrazinyl)-1,4-dihydro-1,2,4,5-tetrazine (dpztzH(2)) at 165 degrees C resulted in the formation of a one-dimensional (1D) coordination polymer [Cd-3(OAc)(3)(dPZt)(3)]center dot 2H(2)O (1) (dpztH=2-(5-(pyrazin-2-yl)-1H-1,2,4-triazol-3-yl)pyrazine) and a new 3D microporous coordination network [Cd-2(2,4,6-pyta)(dpzt)(H2O)]center dot 2H(2)O (2) when pyridine-2,4,6-tricarboxylic acid (2,4,6-pytaH(3)) ligand was employed in the above reaction system, in which the anionic dpzt(-) ligand was resulted from the in situ solvothermal rearrangement and deamination of dpztzH(2). Both complexes emit strong photoluminescence. (c) 2008 Elsevier B.V. All rights reserved.