7,8-Dimethyl-3-phenyl-1,4-dihydro-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one | 625833-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7,8-Dimethyl-3-phenyl-1,4-dihydro-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
• CAS: 625833-20-7
• 化学式: C₁₃H₁₃N₅O
• 分子量: 255.279
• InChiKey: RZQGWIAJIAREAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.19
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  71.31
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  7,8-Dimethyl-3-phenyl-1,4-dihydro-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one 在 silver(l) oxide 作用下， 以 乙腈 为溶剂， 以79%的产率得到7,8-Dimethyl-3-phenyl-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
  参考文献：
  名称：

  Pyrimido[1,2- b ]-1,2,4,5-tetrazin-6-ones as HCMV protease inhibitors: a new class of heterocycles with flavin-like redox properties

  摘要：

  The synthesis and biological activity of pyrimidotetrazin-6-ones against HCMV protease is described. The mechanism of action for these inhibitors is the oxidation of several cysteine residues to generate cross-linked enzyme. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00789-3
• 作为产物：
  描述：

  3-amino-2-hydrazino-5,6-dimethyl-4(3H)-pyrimidinone 、 原苯甲酸三乙酯 在 溶剂黄146 作用下， 以63%的产率得到7,8-Dimethyl-3-phenyl-1,4-dihydro-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
  参考文献：
  名称：

  Pyrimido[1,2- b ]-1,2,4,5-tetrazin-6-ones as HCMV protease inhibitors: a new class of heterocycles with flavin-like redox properties

  摘要：

  The synthesis and biological activity of pyrimidotetrazin-6-ones against HCMV protease is described. The mechanism of action for these inhibitors is the oxidation of several cysteine residues to generate cross-linked enzyme. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00789-3