7,8-Dimethyl-1,4-dihydro-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one | 107769-25-5

• 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: 7,8-Dimethyl-1,4-dihydro-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
• 英文别名: 7,8-Dimethyl-1,4-dihydropyrimido[1,2-b][1,2,4,5]tetrazin-6-one
• CAS: 107769-25-5
• 化学式: C₇H₉N₅O
• 分子量: 179.181
• InChiKey: ITODGMZRIGDBDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7,8-Dimethyl-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80%的产率得到7,8-Dimethyl-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 、 原甲酸三乙酯 在 溶剂黄146 作用下， 以20%的产率得到7,8-Dimethyl-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

文献信息

• Cyclocondensation reactions of 3-amino-2-hydrazino-4(3H)-pyrimidinones. Formation of 1,2,4-triazolo[4,3-a]pyrimidines and pyrimido[1,2-b][1,2,4,5]tetrazines
  作者：Panayota Bitha、Joseph J. Hlavka、Yang I Lin

  DOI：10.1021/jo00387a021

  日期：1987.5
• BITHA P.; HLAVKA J. J.; LIN YANG-I, J. ORG. CHEM., 52,(1987) N 11, 2220-2223
  作者：BITHA P.、 HLAVKA J. J.、 LIN YANG-I

  DOI：——

  日期：——
• 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
  作者：Martin J. Di Grandi、Kevin J. Curran、Ellen Z. Baum、Geraldine Bebernitz、George A. Ellestad、Wei-Dong Ding、Stanley A. Lang、Miriam Rossi、Jonathan D. Bloom

  DOI：10.1016/s0960-894x(03)00789-3

  日期：2003.10

  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.