| 115397-85-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 115397-85-8
• 化学式: C₃₆H₅₇NO₂₆
• 分子量: 919.84
• InChiKey: HCJWADOHRLCAKR-MYPSSPKESA-N

物化性质

• 沸点：
  1244.8±65.0 °C(predicted)
• 密度：
  1.78±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -10.26
• 重原子数：
  63.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  442.0
• 氢给体数：
  17.0
• 氢受体数：
  27.0

反应信息

• 作为反应物：
  描述：

  在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.33h， 生成 N'-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N-[4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butanediamide
  参考文献：
  名称：

  Selective α-glucosidase substrates and inhibitors containing short aromatic peptidyl moieties

  摘要：

  We constructed a library of sugar-dipeptide conjugate to find out the best complementary against hydrophobic pocket of alpha-glucosidase. The best substrate showed 150-fold improved K-m value relative p-acetaminophenyl-alpha-D-glucopyranoside for alpha-glucosidase from Bacillus stearothermophillus. Using information from the complementary, we synthesized sp-WY and beta-Glc-sp-WY, which selectivity inhibited the cognate enzyme. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.062
• 作为产物：
  描述：

  在 palladium on carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Selective α-glucosidase substrates and inhibitors containing short aromatic peptidyl moieties

  摘要：

  We constructed a library of sugar-dipeptide conjugate to find out the best complementary against hydrophobic pocket of alpha-glucosidase. The best substrate showed 150-fold improved K-m value relative p-acetaminophenyl-alpha-D-glucopyranoside for alpha-glucosidase from Bacillus stearothermophillus. Using information from the complementary, we synthesized sp-WY and beta-Glc-sp-WY, which selectivity inhibited the cognate enzyme. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.062