3-(3-{2-[2-(2-aminoethoxy)ethoxy]ethylamino}oxopropylthio)propyl 2-O-(2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide | 474903-51-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3-{2-[2-(2-aminoethoxy)ethoxy]ethylamino}oxopropylthio)propyl 2-O-(2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide
• CAS: 474903-51-0
• 化学式: C₂₇H₄₉N₅O₁₅S
• 分子量: 715.777
• InChiKey: IJRYDEMABNLHOK-RVBGNLQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.01
• 重原子数：
  48.0
• 可旋转键数：
  22.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  315.93
• 氢给体数：
  9.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  方酸二乙酯 、 3-(3-{2-[2-(2-aminoethoxy)ethoxy]ethylamino}oxopropylthio)propyl 2-O-(2-acetamido-3,4,6-tri-O-benzyl-2-deoxy-β-D-glucopyranosyl)-3-O-carbamoyl-α-D-galactopyranosiduronamide 以 乙醇 、 水 为溶剂， 反应 18.0h， 以66%的产率得到3-[3-(2-{2-[2-(2-ethoxy-3,4-dioxocyclobut-1-en-1-ylamino)ethoxy]ethoxy}ethylamino)oxopropylthio]propyl 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
• 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 lithium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 0.75h， 生成 3-(3-{2-[2-(2-aminoethoxy)ethoxy]ethylamino}oxopropylthio)propyl 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