N-(6-(5-(1,2-dithiolan-3-yl)pentanamido)hexyl)-1-phenyl-2,5,8,11-tetraoxatridecan-13-amide | 1443467-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: N-(6-(5-(1,2-dithiolan-3-yl)pentanamido)hexyl)-1-phenyl-2,5,8,11-tetraoxatridecan-13-amide
• CAS: 1443467-90-0
• 化学式: C₂₉H₄₈N₂O₆S₂
• 分子量: 584.842
• InChiKey: BZELZXHBUWZEFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.76
• 重原子数：
  39.0
• 可旋转键数：
  25.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  95.12
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N-(6-(5-(1,2-dithiolan-3-yl)pentanamido)hexyl)-1-phenyl-2,5,8,11-tetraoxatridecan-13-amide 在 aluminum (III) chloride 、 N,N-二甲基苯胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以21%的产率得到DHAP
  参考文献：
  名称：

  Creating Protein-Imprinted Self-Assembled Monolayers with Multiple Binding Sites and Biocompatible Imprinted Cavities

  摘要：

  Imprinted monolayers have several advantages over bulk imprinted polymers such as excellent mass transfer of molecules into and out of imprinted sites and transduction of binding signals detected in real time. Protein-imprinted self-assembled monolayers (SAMs) were created with multiple binding sites and biocompatible imprinted cavities from functional thiols and novel disulfide compounds containing an oligoethylene glycol (OEG) terminal moiety and two amide groups incorporated in the chain (DHAP) in a biologically benign solution. DHAP played an important role in the formation of multiple binding sites and biocompatible cavities in addition to resisting nonspecific protein binding. The created protein-imprinted SAMs exhibited the excellent ability of specific binding of target proteins determined by multiple binding sites and imprinted cavities. The strategy generates tailor-made monolayer surfaces with specific protein binding and opens the possibility of controlled assembly of intellectual biomaterials and preparation of biosensors.

  DOI：

  10.1021/ja402423r
• 作为产物：
  描述：

  Thioctic acid 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 26.0h， 生成 N-(6-(5-(1,2-dithiolan-3-yl)pentanamido)hexyl)-1-phenyl-2,5,8,11-tetraoxatridecan-13-amide
  参考文献：
  名称：

  Creating Protein-Imprinted Self-Assembled Monolayers with Multiple Binding Sites and Biocompatible Imprinted Cavities

  摘要：

  Imprinted monolayers have several advantages over bulk imprinted polymers such as excellent mass transfer of molecules into and out of imprinted sites and transduction of binding signals detected in real time. Protein-imprinted self-assembled monolayers (SAMs) were created with multiple binding sites and biocompatible imprinted cavities from functional thiols and novel disulfide compounds containing an oligoethylene glycol (OEG) terminal moiety and two amide groups incorporated in the chain (DHAP) in a biologically benign solution. DHAP played an important role in the formation of multiple binding sites and biocompatible cavities in addition to resisting nonspecific protein binding. The created protein-imprinted SAMs exhibited the excellent ability of specific binding of target proteins determined by multiple binding sites and imprinted cavities. The strategy generates tailor-made monolayer surfaces with specific protein binding and opens the possibility of controlled assembly of intellectual biomaterials and preparation of biosensors.

  DOI：

  10.1021/ja402423r