| 1556776-79-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1556776-79-4
• 化学式: C₇₄H₇₀BrClN₄O₃₃
• 分子量: 1658.73
• InChiKey: TXRONPSMNKLOBX-MWWSQXRDSA-N

物化性质

• 密度：
  1.63±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  113.0
• 可旋转键数：
  24.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  450.83
• 氢给体数：
  0.0
• 氢受体数：
  33.0

反应信息

• 作为反应物：
  描述：

  phenyl 3,4-di-O-acetyl-6-O-chloroacetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-1-thio-β-D-glucopyranoside 、 在 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 24.5h， 以273 mg的产率得到phenyl 3,4-di-O-acetyl-6-O-chloroacetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-1-thio-β-D-glucopyranoside
  参考文献：
  名称：

  Preparation of synthetic oligosaccharide-conjugates of poly-β-(1→6)-N-acetyl glucosamine

  摘要：

  Staphylococcus aureus and Staphylococcus epidermidis are prominent bacterial pathogens of nosocomial infections. Both microorganisms colonize medical devices by forming adherent biofilms. poly-beta-(1 -> 6)-N-acetyl-glucosamine (PNAG) is a surface polysaccharide antigen which was found on both S. aureus and S. epidermidis. Animal studies have proved that PNAG can elicit antibodies which protect against staphylococcal infections. We have presented the synthesis of di-, tetra-and hexasaccharide fragments of PNAG with formyl-heptyl aglycone and their attachment to bovine serum albumin (BSA) by reductive amination. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2013.12.022
• 作为产物：
  描述：

  phenyl 3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranosyl-(1→6)-3,4-di-O-acetyl-2-deoxy-2-phthalimido-1-thio-β-D-glucopyranoside 在 溴 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Preparation of synthetic oligosaccharide-conjugates of poly-β-(1→6)-N-acetyl glucosamine

  摘要：

  Staphylococcus aureus and Staphylococcus epidermidis are prominent bacterial pathogens of nosocomial infections. Both microorganisms colonize medical devices by forming adherent biofilms. poly-beta-(1 -> 6)-N-acetyl-glucosamine (PNAG) is a surface polysaccharide antigen which was found on both S. aureus and S. epidermidis. Animal studies have proved that PNAG can elicit antibodies which protect against staphylococcal infections. We have presented the synthesis of di-, tetra-and hexasaccharide fragments of PNAG with formyl-heptyl aglycone and their attachment to bovine serum albumin (BSA) by reductive amination. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2013.12.022