| 90293-28-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 90293-28-0
• 化学式: C₄₁H₅₁N₃O₁₀
• 分子量: 745.87
• InChiKey: IXOKGSQENLHJRJ-AFEGWXKPSA-N

物化性质

• 沸点：
  894.4±65.0 °C(Predicted)
• 密度：
  1.190±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  54.0
• 可旋转键数：
  19.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  175.43
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis of oligonucleotide-peptide conjugates containing a KDEL signal sequence

  摘要：

  An improved method of preparation of oligonucleotide-peptide conjugates is described. An oligopeptide containing alpha and epsilon-aminogroups is mainly substituted at its alpha-NH2 end by epsilon-maleimidocaproic acid-N-hydroxysuccinimide ester at pH 6.5 for 1 h. The N-alpha-maleimidocaproyl-peptide derivative, purified by HPLC, reacts with the thiol group of an oligonucleotide in a 82% yield at pH 7.2. The thiol group is generated in situ by the action of tris(carboxyethyl)phosphine on an oligonucleotide bearing a disulfide bridge.

  DOI：

  10.1016/s0040-4039(00)61458-2
• 作为产物：
  描述：

  Boc-Glu(OBn)-Leu-OBn 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Synthesis of oligonucleotide-peptide conjugates containing a KDEL signal sequence

  摘要：

  An improved method of preparation of oligonucleotide-peptide conjugates is described. An oligopeptide containing alpha and epsilon-aminogroups is mainly substituted at its alpha-NH2 end by epsilon-maleimidocaproic acid-N-hydroxysuccinimide ester at pH 6.5 for 1 h. The N-alpha-maleimidocaproyl-peptide derivative, purified by HPLC, reacts with the thiol group of an oligonucleotide in a 82% yield at pH 7.2. The thiol group is generated in situ by the action of tris(carboxyethyl)phosphine on an oligonucleotide bearing a disulfide bridge.

  DOI：

  10.1016/s0040-4039(00)61458-2