2-(2-{2-[2-(benzyloxycarbonylamino)ethoxy]ethoxy}ethylamino)ethyl 2-O-(2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide | 474903-38-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-{2-[2-(benzyloxycarbonylamino)ethoxy]ethoxy}ethylamino)ethyl 2-O-(2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide
• CAS: 474903-38-3
• 化学式: C₅₂H₆₇N₅O₁₆
• 分子量: 1018.13
• InChiKey: MPMDYALUGYHOAM-MRAGEPEHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  73.0
• 可旋转键数：
  30.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  278.17
• 氢给体数：
  6.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  2-(2-{2-[2-(benzyloxycarbonylamino)ethoxy]ethoxy}ethylamino)ethyl 2-O-(2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide 在 palladium on activated charcoal 氢气 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 反应 48.0h， 以61%的产率得到2-{2-[2-(2-aminoethoxy)ethoxy]ethylamino}ethyl 2-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide
  参考文献：
  名称：

  Synthesis of tools for raising antibodies against moenomycin epitopes and initial immunological studies

  摘要：

  The moenomycins A and C-1 as well as penta-. di- and monosaccharide analogues have been conjugated to BSA and biotin, respectively, The moenomycin A-BSA conjugates have been used to raise polyclonal antibodies. It has been demonstrated that the antisera recognize moenomycin A. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00838-4
• 作为产物：
  描述：

  allyl 2-O-(2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide 在 sodium cyanoborohydride 、 臭氧 作用下， 以 甲醇 为溶剂， 反应 18.08h， 生成 2-(2-{2-[2-(benzyloxycarbonylamino)ethoxy]ethoxy}ethylamino)ethyl 2-O-(2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide
  参考文献：
  名称：

  Synthesis of tools for raising antibodies against moenomycin epitopes and initial immunological studies

  摘要：

  The moenomycins A and C-1 as well as penta-. di- and monosaccharide analogues have been conjugated to BSA and biotin, respectively, The moenomycin A-BSA conjugates have been used to raise polyclonal antibodies. It has been demonstrated that the antisera recognize moenomycin A. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00838-4