(GlcN)2-UMB

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (GlcN)2-UMB
• 英文别名: 7-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methylchromen-2-one
• 化学式: C₂₂H₃₀N₂O₁₁
• 分子量: 498.487
• InChiKey: UFZRKZYVDOEGCX-BIAPIHPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  sodium 4-methylumbelliferonate 在 甲醇 、 chitin deacetylase from Colletotrichum lindemuthianum 、 sodium tetraborate-HCl buffer 、 氨 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 92.5h， 生成 (GlcN)2-UMB
  参考文献：
  名称：

  Chemo- and enzymatic synthesis of partially and fully N -deacetylated 4-methylumbelliferyl chitobiosides: Fluorogenic substrates for chitinase

  摘要：

  Partially and fully N-deacetylated 4-methylumberlliferyl chitobioside (1) derivatives, such as GlcN-GlcNAc-UMB (2), GlcNAc-GlcN-UMB (3), and (GlcN)(2)-UMB (4), were synthesized using chemo- and enzymatic procedure. Fluorescent aglycon was released from the chitobiosides 1, 2 and 3 by the action of chitinase. These UMB glycosides of hererochitobiose were versatile probes for the investigation of substrate binding chitinase from various sources. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00116-5