4-(indomethacin)benzoic acid | 402717-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-(indomethacin)benzoic acid
• 英文别名: 4-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoic acid
• CAS: 402717-32-2
• 化学式: C₂₆H₂₀ClNO₆
• 分子量: 477.901
• InChiKey: HKWACIJWZPWJIF-UHFFFAOYSA-N

物化性质

• 沸点：
  640.1±55.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  94.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对羟基苯甲酸苄酯 在 palladium on activated charcoal 、 碳酸二异丙酯 、 DPTS 作用下， 以 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(indomethacin)benzoic acid
  参考文献：
  名称：

  Cholesteryl-(l-Lactic Acid)_n̄ Building Blocks for Self-Assembling Biomaterials

  摘要：

  The synthesis and properties of a novel set of building blocks for the preparation of self-assembling biomaterials are described. These molecules consist of a relatively short oligo(L-lactic acid)((n) over bar) segment ((n) over bar = 10-40) that is substituted with a cholesterol moiety as an end group and in some cases has a second biofunctional substituent at its other terminus. The cholesterol moiety not only serves to induce liquid crystalline properties and drive the self-assembly of these oligomers, but also is expected to have an effect on the interaction of cells with these materials. The cholesteryl-(L-lactic acid)((n) over bar) (CLA((n) over bar)) oligomers form thermotropic liquid crystals and self-assemble into lamellar structures consisting of interdigitated bilayers. In addition, the CLA((n) over bar) oligomers can be homogeneously blended with poly(L-lactic acid), thereby offering the possibility to improve the cell interaction properties of this common surgical biomaterial. Furthermore, the secondary alcohol terminus of the CLA((n) over bar) oligomers allows the opportunity to introduce additional bioactive substituents such as cholesterol, indomethacin (an antiinflammatory drug), and pyrene and rhodamine B (which can act as fluorescent labels for bioimaging purposes) and various alpha-amino acids. These biofunctional CLA((n) over bar) oligomers can also be homogeneously mixed with the unsubstituted CLA((n) over bar) oligomers and thus could enable a further noncovalent functionalization of self-assembling biomaterials.

  DOI：

  10.1021/ma010907x