N-[3-[[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]acetyl]amino]propyl]benzamide | 1341174-22-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: N-[3-[[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]acetyl]amino]propyl]benzamide
• CAS: 1341174-22-8
• 化学式: C₂₆H₃₉N₅O₆S
• 分子量: 549.692
• InChiKey: IXBXFMQDKLDQSR-HFMPRLQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  38
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  172
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethyl 2-[2-[2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoylamino]ethoxy]ethoxy]acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 N-[3-[[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]acetyl]amino]propyl]benzamide
  参考文献：
  名称：

  Novel preloaded resins for solid-phase biotinylation of carboxylic acids

  摘要：

  Use of solid-phase synthesis for the derivatization of carboxylic acids with biotinylated spacers consisting of ethylenoxy units is described. An aminomethylated resin provided with an acid-labile aldehyde linker is used as the polymer support and three different systems with a reactive amino group are introduced. Acylation of each system was tested with a set of model carboxylic acids and afforded crude products of excellent purity. The preloaded resins are similar to the Biotin-PEG-NovaTagTM resin but offer several advantages including simple elongation of the spacer arm. The protocols described represent a very efficient way of modifying compounds to obtain ligands for affinity chromatography studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.115