4-((3-(adenin-9-yl)propanoyl)oxy)butyl acrylate | 1353941-69-1

• 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: 4-((3-(adenin-9-yl)propanoyl)oxy)butyl acrylate
• 英文别名: 4-((3-(Adenin-9-yl)propanoyl)oxy)butyl acrylate；4-prop-2-enoyloxybutyl 3-(6-aminopurin-9-yl)propanoate
• CAS: 1353941-69-1
• 化学式: C₁₅H₁₉N₅O₄
• 分子量: 333.347
• InChiKey: QYTJPZIXQYXBHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,4-丁二醇二丙烯酸酯 、 腺嘌呤 在 2,6-二叔丁基-4-甲基苯酚 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 6.0h， 以70%的产率得到4-((3-(adenin-9-yl)propanoyl)oxy)butyl acrylate
  参考文献：
  名称：

  A bio-inspired fluorescent nano-injectable hydrogel as a synergistic drug delivery system

  摘要：

  一种具有荧光性质和双重药物控制顺序释放的纳米注射水凝胶。

  DOI：

  10.1039/d0nj05719c

文献信息

• Nucleobase Self-Assembly in Supramolecular Adhesives
  作者：Shijing Cheng、Mingqiang Zhang、Ninad Dixit、Robert B. Moore、Timothy E. Long

  DOI：10.1021/ma202122r

  日期：2012.1.24

  Novel acrylic monomers functionalized with nucleobase-containing units (adenine and thymine) were prepared upon aza-Michael addition and successfully copolymerized with n-butyl acrylate. At a content of 7 mol %, adenine-containing units self-assembled into needle-like microstructures within amorphous polymer matrices as shown with atomic force microscopy (AFM), small-angle X-ray scattering (SAXS), and wide-angle X-ray diffraction (WAXD); thymine-containing units did not aggregate into distinct morphologies even to 30 mol %. Upon blending, thymine- and adenine-containing statistical copolymers associated into a thermodynamically stable complex, which was physically cross-linked through adenine-thymine base pairing. The molar fractions of the nucleobase monomer, nucleobase stacking interactions, and complementary hydrogen bonding principally influenced self-assembly. Additionally, the nucleobase-functionalized polyacrylates exhibited tunable adhesive and cohesive strength.
• A bio-inspired fluorescent nano-injectable hydrogel as a synergistic drug delivery system
  作者：Yue Xu、Mingming Yang、Qiyue Ma、Xiang Di、Guolin Wu

  DOI：10.1039/d0nj05719c

  日期：——

  A nano-injectable hydrogel with fluorescence properties and controlled sequential release of dual drugs.

  一种具有荧光性质和双重药物控制顺序释放的纳米注射水凝胶。