3-(4-tert-butylphenyl)-5-(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)-1,2,4-triazole | 1430730-69-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-tert-butylphenyl)-5-(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)-1,2,4-triazole
• CAS: 1430730-69-0
• 化学式: C₄₆H₄₁N₃O₉
• 分子量: 779.846
• InChiKey: KZITXSUZEUSIAM-GFRPZHATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.74
• 重原子数：
  58.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  156.0
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  3-(4-tert-butylphenyl)-5-(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)-1,2,4-triazole 在 sodium methylate 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 72.0h， 以71%的产率得到3-(4-tert-butylphenyl)-5-(β-D-glucopyranosyl)-1,2,4-triazole
  参考文献：
  名称：

  C-Glucopyranosyl-1,2,4-triazoles As New Potent Inhibitors of Glycogen Phosphorylase

  摘要：

  Glycogen phosphorylase inhibitors are considered as potential antidiabetic agents. 3-(beta-D-Glucopyranosyl)-5-substituted-1,2,4-triazoles were prepared by acylation of O-perbenzoylated N-1-tosyl-C-beta-D-glucopyranosyl formamidrazone and subsequent removal of the protecting groups. The best inhibitor was 3-(beta-D-glucopyranosyl)-5-(2-naphthyl)-1,2,4-triazole (K-i = 0.41 mu M against rabbit muscle glycogen phosphorylase b).

  DOI：

  10.1021/ml4001529
• 作为产物：
  描述：

  ethyl C-(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)formimidate 在 吡啶 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 120.0h， 生成 3-(4-tert-butylphenyl)-5-(2,3,4,6-tetra-O-benzoyl-β-D-glucopyranosyl)-1,2,4-triazole
  参考文献：
  名称：

  C-Glucopyranosyl-1,2,4-triazoles As New Potent Inhibitors of Glycogen Phosphorylase

  摘要：

  Glycogen phosphorylase inhibitors are considered as potential antidiabetic agents. 3-(beta-D-Glucopyranosyl)-5-substituted-1,2,4-triazoles were prepared by acylation of O-perbenzoylated N-1-tosyl-C-beta-D-glucopyranosyl formamidrazone and subsequent removal of the protecting groups. The best inhibitor was 3-(beta-D-glucopyranosyl)-5-(2-naphthyl)-1,2,4-triazole (K-i = 0.41 mu M against rabbit muscle glycogen phosphorylase b).

  DOI：

  10.1021/ml4001529