1,2,3,4-Butanetetrol, 1-(3-amino-1,2,4-triazin-5-yl)-, (1R,2S,3R)- | 144218-84-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1,2,3,4-Butanetetrol, 1-(3-amino-1,2,4-triazin-5-yl)-, (1R,2S,3R)-
• 英文别名: 3-amino-5-<(1R,2S,3S)-1,2,3,4-tetrahydroxybutyl>-1,2,4-triazine；(1R,2S,3R)-1-(3-amino-1,2,4-triazin-5-yl)-1,2,3,4-tetrahydroxybutane；3-amino-5-((1R,2S,3S)-1,2,3,4-tetrahydroxybutyl)-1,2,4-triazine
• CAS: 144218-84-8
• 化学式: C₇H₁₂N₄O₄
• 分子量: 216.197
• InChiKey: PSNNHBZBUZIZFO-HSUXUTPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  145.61
• 氢给体数：
  5.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  D-葡糖醛酮 、 氨基胍碳酸氢盐 反应 8.0h， 以13.2%的产率得到1,2,3,4-Butanetetrol, 1-(3-amino-1,2,4-triazin-5-yl)-, (1R,2S,3R)-
  参考文献：
  名称：

  The reaction of some dicarbonyl sugars with aminoguanidine

  摘要：

  The reactions of aminoguanidine (guanylhydrazine) with 3-deoxy-D-erythro-hexos-2-ulose (1a), 3-deoxy-D-glycero-pentose-2-ulose (1b), D-erythro-hexos-2-ulose (1c), and D-glycero-pentose-2-ulose (1d) were examined at 37-degrees at a solution pH of 7.0 (phosphate buffer). For 1a and 1b, two major products were observed and shown respectively to be the 5- and 6-substituted 3-amino-1,2,4-triazine derivatives. The ratios of the products were independent of the amount of aminoguanidine present or the order of mixing the reagents prior to the experiments. For 1c and 1d, only the 5-substituted triazine derivatives were formed, No evidence for hydrazone or bishydrazone formation was observed.

  DOI：

  10.1016/s0008-6215(00)90999-6

文献信息

• Detection of α-Dicarbonyl Compounds in Maillard Reaction Systems and in Vivo
  作者：Marcus A. Glomb、Roswitha Tschirnich

  DOI：10.1021/jf010148h

  日期：2001.11.1

  alpha-Dicarbonyl compounds are of major interest in food chemistry and biochemistry as important precursors of, for example, protein modifications and flavor. Due to their high reactivity most of the published structures were identified and quantitated as stable derivatives after reaction with trapping reagents. However, the present study showed for the first time that the trapping reagents are of

  α-二羰基化合物作为例如蛋白质修饰和风味剂的重要前体，在食品化学和生物化学中具有重要意义。由于它们的高反应活性，大多数已公开的结构在与捕获剂反应后被鉴定为稳定的衍生物并定量。但是，本研究首次表明，捕集试剂对最终的定性和定量α-二羰基光谱具有显着影响。作为重要代表，氨基胍和邻苯二胺用于比较捕集特性并监测由Amadori化合物降解产生的二羰基结构。具有还原酮部分的二羰基结构不能被或仅被慢反应试剂如氨基胍不足以检测到。另一方面，