α-benzyl-γ-methyl L-alanyl-D-glutamate diester trifluoroacetate salt | 1628715-03-6

• 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: α-benzyl-γ-methyl L-alanyl-D-glutamate diester trifluoroacetate salt
• CAS: 1628715-03-6
• 化学式: C₂HF₃O₂*C₁₆H₂₂N₂O₅
• 分子量: 436.385
• InChiKey: IWEYDZIULCUKGV-STEACBGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.15
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  145.02
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  α-benzyl-γ-methyl L-alanyl-D-glutamate diester trifluoroacetate salt 在 10 wt% Pd(OH)2 on carbon 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氢气 、 1-羟基苯并三唑 、 溶剂黄146 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 53.0h， 生成 n-propyl 2-amino-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-3-O-[(R)-1'-(D-glutamyl-L-alanylamido)carboxyethyl]-2-deoxy-α-D-glucopyranoside
  参考文献：
  名称：

  Synthesis of Partially N-Acetylated Chitooligosaccharides and Muropeptides

  摘要：

  Partially N-acetylated chitooligosaccharides and muropeptides are referred to as microbial associated molecular patterns (MAMPs). To shed light on the molecular basis of their recognition by the innate immunity system of living organisms, their production in pure form is necessary. To this end, we present here the first synthetic strategy for the obtainment of a series of partially N-acetylated muropeptides as well as of a chitodisaccharide and a chitotetrasaccharide, all possessing a well-defined N-acetylation pattern.

  DOI：

  10.1055/s-0033-1340323
• 作为产物：
  描述：

  在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.25h， 生成 α-benzyl-γ-methyl L-alanyl-D-glutamate diester trifluoroacetate salt
  参考文献：
  名称：

  Synthesis of Partially N-Acetylated Chitooligosaccharides and Muropeptides

  摘要：

  Partially N-acetylated chitooligosaccharides and muropeptides are referred to as microbial associated molecular patterns (MAMPs). To shed light on the molecular basis of their recognition by the innate immunity system of living organisms, their production in pure form is necessary. To this end, we present here the first synthetic strategy for the obtainment of a series of partially N-acetylated muropeptides as well as of a chitodisaccharide and a chitotetrasaccharide, all possessing a well-defined N-acetylation pattern.

  DOI：

  10.1055/s-0033-1340323