| 1330629-87-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1330629-87-2
• 化学式: C₄₂H₅₀N₂O₉
• 分子量: 726.867
• InChiKey: YMNVFKHVLRCELX-ZOXMQWNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  53.0
• 可旋转键数：
  17.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  133.81
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 29.5h， 生成 benzyl (S)-4-(((S)-3-(benzyloxy)-1-(((2S,3R,4R,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl)-2-hydroxytetrahydro-2H-pyran-3-yl)amino)-1-oxopropan-2-yl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate
  参考文献：
  名称：

  Synthesis of mimetic peptides containing glucosamine

  摘要：

  A convenient synthesis of 2-amino-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranoside was described from the readily available starting material 2-acetamido-2-deoxy-D-glucose (N-acetyl-D-glucosamine). Herein, the coupling of different lipophilic amino acids with 2-amino-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucose was reported via an amide linkage as useful building blocks for the synthesis of glycopeptides. Of particular interest, bioactive peptide Arg-Gly-Asp (RGD) was incorporated into the building block containing valine was also reported. The 15 examples of corresponding di-, tri- and tetra-peptides were obtained as single alpha anomers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.04.010
• 作为产物：
  描述：

  溴甲苯 在 盐酸 、 barium hydroxide octahydrate 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 barium(II) oxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 26.5h， 生成
  参考文献：
  名称：

  Synthesis of mimetic peptides containing glucosamine

  摘要：

  A convenient synthesis of 2-amino-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranoside was described from the readily available starting material 2-acetamido-2-deoxy-D-glucose (N-acetyl-D-glucosamine). Herein, the coupling of different lipophilic amino acids with 2-amino-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucose was reported via an amide linkage as useful building blocks for the synthesis of glycopeptides. Of particular interest, bioactive peptide Arg-Gly-Asp (RGD) was incorporated into the building block containing valine was also reported. The 15 examples of corresponding di-, tri- and tetra-peptides were obtained as single alpha anomers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.04.010