1-[3-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosylthio)-4-amino-4H-1,2,4-triazol-5-ylthio]-3-[2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4-amino-2,4-dihydro-3-thioxo-3H-1,2,4-triazol-5-ylthio]propane | 912455-71-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosylthio)-4-amino-4H-1,2,4-triazol-5-ylthio]-3-[2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4-amino-2,4-dihydro-3-thioxo-3H-1,2,4-triazol-5-ylthio]propane
• CAS: 912455-71-1
• 化学式: C₃₅H₄₈N₈O₁₈S₄
• 分子量: 997.073
• InChiKey: FBPLPAUCZLICKY-GPLQMKFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.14
• 重原子数：
  65.0
• 可旋转键数：
  19.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  334.36
• 氢给体数：
  2.0
• 氢受体数：
  30.0

反应信息

• 作为反应物：
  描述：

  1-[3-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosylthio)-4-amino-4H-1,2,4-triazol-5-ylthio]-3-[2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4-amino-2,4-dihydro-3-thioxo-3H-1,2,4-triazol-5-ylthio]propane 在 氨 、 溶剂黄146 、 sodium nitrite 作用下， 以 甲醇 为溶剂， 生成 1-(3-β-D-glucopyranosylthio-4H-1,2,4-triazol-5-ylthio)-3-(2-β-D-glucopyranosyl-2,4-dihydro-3-thioxo-3H-1,2,4-triazol-5-ylthio)propane
  参考文献：
  名称：

  Synthesis of Some New 1,3/ or 1,4-Bis(Glucopyranosyl-1,2,4-Triazol-5-Ylthio)Propanes/ or Butanes as Potential Antimicrobial Agents

  摘要：

  Glucosidation of the appropriate 1,3 or 1,4-bis(4-amino or arylideneamino-2,4-dihydro-3-thioxo3H- 1, 2, 4-triazol-5 ylthio)propanes or butanes with 2, 3, 4, 6-tetra-O-acetyl-alpha-D-glucopyranosyl bromide followed by chromatographic separation gave the corresponding N-, S-, and N S-bis(glucosides). Chemical transformation leading to new functionalities has been achieved. Antimicrobial screening of 10 selected compounds resulted in their activity against Aspergillus fumigatus, Penicillium italicum, Syncephalastrum racemosum, Candida albicans, Staphylococcus aureus, Pseudomonas aeruginosa, Bacillus subtilis, and Escherichia coli.

  DOI：

  10.1080/15257770500230632
• 作为产物：
  描述：

  1,3-bis(4-amino-2,4-dihydro-3-thioxo-3H-1,2,4-triazol-5-ylthio)propane 、 2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到1,3-bis[3-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosylthio)-4-amino-4H-1,2,4-triazol-5-ylthio]propane
  参考文献：
  名称：

  Synthesis of Some New 1,3/ or 1,4-Bis(Glucopyranosyl-1,2,4-Triazol-5-Ylthio)Propanes/ or Butanes as Potential Antimicrobial Agents

  摘要：

  Glucosidation of the appropriate 1,3 or 1,4-bis(4-amino or arylideneamino-2,4-dihydro-3-thioxo3H- 1, 2, 4-triazol-5 ylthio)propanes or butanes with 2, 3, 4, 6-tetra-O-acetyl-alpha-D-glucopyranosyl bromide followed by chromatographic separation gave the corresponding N-, S-, and N S-bis(glucosides). Chemical transformation leading to new functionalities has been achieved. Antimicrobial screening of 10 selected compounds resulted in their activity against Aspergillus fumigatus, Penicillium italicum, Syncephalastrum racemosum, Candida albicans, Staphylococcus aureus, Pseudomonas aeruginosa, Bacillus subtilis, and Escherichia coli.

  DOI：

  10.1080/15257770500230632