dibenzyl (((dodecane-1,12-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(6-oxo-6,9-dihydro-1H-purine-9,2-diyl))dicarbamate | 1009310-83-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: dibenzyl (((dodecane-1,12-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(6-oxo-6,9-dihydro-1H-purine-9,2-diyl))dicarbamate
• CAS: 1009310-83-1
• 化学式: C₄₂H₅₀N₁₂O₈
• 分子量: 850.935
• InChiKey: WVGQSUVBPWXBMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.88
• 重原子数：
  62.0
• 可旋转键数：
  23.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  262.0
• 氢给体数：
  6.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  dibenzyl (((dodecane-1,12-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(6-oxo-6,9-dihydro-1H-purine-9,2-diyl))dicarbamate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以0.15 g的产率得到
  参考文献：
  名称：

  Molecular Engineering of Supramolecular Scaffold Coatings that Can Reduce Static Platelet Adhesion

  摘要：

  Novel supramolecular coatings that make use of low-molecular weight ditopic monomers with guanine end groups are studied using fluid tapping AFM. These molecules assemble on highly oriented pyrolytic graphite (HOPG) from aqueous solutions to form nanosized banding structures whose sizes can be systematically tuned at the nanoscale by tailoring the molecular structure of the monomers. The nature of the self-assembly in these systems has been studied through a combination of the self-assembly of structural derivatives and molecular modeling. Furthermore, we introduce the concept of using these molecular assemblies as scaffolds to organize functional groups on the surface. As a first demonstration of this concept, scaffold monomers that contain a monomethyl triethyleneglycol branch were used to organize these "functional" units on a HOPG surface. These supramolecular grafted assemblies have been shown to be stable at biologically relevant temperatures and even have the ability to significantly reduce static platelet adhesion.

  DOI：

  10.1021/ja0775927
• 作为产物：
  描述：

  1,12-二氨基十二烷 、 1,6-二氢-6-氧代-2-[[(苯甲氧基)羰基]氨基]-9H-嘌呤-9-乙酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 生成 dibenzyl (((dodecane-1,12-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(6-oxo-6,9-dihydro-1H-purine-9,2-diyl))dicarbamate
  参考文献：
  名称：

  Molecular Engineering of Supramolecular Scaffold Coatings that Can Reduce Static Platelet Adhesion

  摘要：

  Novel supramolecular coatings that make use of low-molecular weight ditopic monomers with guanine end groups are studied using fluid tapping AFM. These molecules assemble on highly oriented pyrolytic graphite (HOPG) from aqueous solutions to form nanosized banding structures whose sizes can be systematically tuned at the nanoscale by tailoring the molecular structure of the monomers. The nature of the self-assembly in these systems has been studied through a combination of the self-assembly of structural derivatives and molecular modeling. Furthermore, we introduce the concept of using these molecular assemblies as scaffolds to organize functional groups on the surface. As a first demonstration of this concept, scaffold monomers that contain a monomethyl triethyleneglycol branch were used to organize these "functional" units on a HOPG surface. These supramolecular grafted assemblies have been shown to be stable at biologically relevant temperatures and even have the ability to significantly reduce static platelet adhesion.

  DOI：

  10.1021/ja0775927