(5S,6S)-6-Acetylamino-1-(2-ethyl-butyryl)-5-guanidino-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid

• 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: (5S,6S)-6-Acetylamino-1-(2-ethyl-butyryl)-5-guanidino-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid
• 英文别名: (3S,4S)-3-acetamido-2-(2-ethylbutanoyl)-4-guanidino-4,5-dihydro-3H-pyridazine-6-carboxylic acid；(3S,4S)-3-acetamido-4-(diaminomethylideneamino)-2-(2-ethylbutanoyl)-4,5-dihydro-3H-pyridazine-6-carboxylic acid
• 化学式: C₁₄H₂₄N₆O₄
• 分子量: 340.382
• InChiKey: MGGCSOSTPBUNLV-ONGXEEELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  164
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到(5S,6S)-6-Acetylamino-1-(2-ethyl-butyryl)-5-guanidino-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and evaluation of 1,4,5,6-tetrahydropyridazine derivatives as influenza neuraminidase inhibitors

  摘要：

  1,4,5,6-Tetrahydropyridazine derivative 15 and its C-5 epimer 19, which possessed side chains similar to GS4071, were synthesized via a hetero Diels-Alder reaction, and evaluated as influenza neuraminidase inhibitors. Compounds 15 and 19 exhibited a microM range of influenza neuraminidase inhibitory activity.

  DOI：

  10.1016/s0960-894x(99)00280-2