5-(3-nitrophenyl)-4-phenyl-3-(2,3,4,6-tetra-O-acetyl-β-D-1-thiogalactopyranose)-1,2,4-triazole | 1516888-06-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-(3-nitrophenyl)-4-phenyl-3-(2,3,4,6-tetra-O-acetyl-β-D-1-thiogalactopyranose)-1,2,4-triazole
• 英文别名: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxan-2-yl]methyl acetate
• CAS: 1516888-06-4
• 化学式: C₂₈H₂₈N₄O₁₁S
• 分子量: 628.617
• InChiKey: DLWHIZLHISYPGX-VJIOPBFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  44
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  216
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  3-硝基苯酰肼 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 1.0h， 生成 5-(3-nitrophenyl)-4-phenyl-3-(2,3,4,6-tetra-O-acetyl-β-D-1-thiogalactopyranose)-1,2,4-triazole
  参考文献：
  名称：

  Synthesis of New 1,2,4-Triazole-5-Thiones and Their Thioglycoside Derivatives as Potential Antibacterial Agents

  摘要：

  The glycosylation of 1,2,4-triazole-5-thiones has been performed with peracetylated -pyranosyl bromide in the presence of potassium carbonate. The synthesized compounds were tested for their antimicrobial activity against bacterial (Gram-negative and Gram-positive) and yeasts strains in vitro. The synthetic compounds showed different inhibition zones against tested bacterial and yeasts strains. Among them, compounds which possessed 2-furyl and p-bromophenyl moieties showed the best results against Acinetobacter calcoaceticus ATCC 23055.

  DOI：

  10.1080/10426507.2013.789877

文献信息

• Synthesis of New 1,2,4-Triazole-5-Thiones and Their Thioglycoside Derivatives as Potential Antibacterial Agents
  作者：Karim Akbari Dilmaghani、Fazel Nasuhi Pur、Nima Hoseini Jazani、Asma Alavi、Zahra Niknam、Farrin Mirfakhraee

  DOI：10.1080/10426507.2013.789877

  日期：2014.1

  The glycosylation of 1,2,4-triazole-5-thiones has been performed with peracetylated -pyranosyl bromide in the presence of potassium carbonate. The synthesized compounds were tested for their antimicrobial activity against bacterial (Gram-negative and Gram-positive) and yeasts strains in vitro. The synthetic compounds showed different inhibition zones against tested bacterial and yeasts strains. Among them, compounds which possessed 2-furyl and p-bromophenyl moieties showed the best results against Acinetobacter calcoaceticus ATCC 23055.