| 1369390-73-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1369390-73-7
• 化学式: C₂₇H₃₁N₂O₃*Na
• 分子量: 454.545
• InChiKey: MIXXBHAYEBVFFA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.68
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-{[4-(diethylamino)phenyl]methylene}cyclopentanone 、 sodium 3-[(4-formylphenyl) (methyl)-amino]-propanoate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以40%的产率得到
  参考文献：
  名称：

  Carboxylate modified benzylidene cyclopentanone dyes for one- and two-photon excited photodynamic therapy

  摘要：

  Benzylidene cyclopentanone dyes have high photosensitization activity and large two-photon absorption (TPA) cross-section in near infrared region. To explore their application potentials in two-photon excited photodynamic therapy (TPE-PDT), a series of carboxylate modified benzylidene cyclopentanone dyes were synthesized by varying number of carboxylate groups. Their linear and nonlinear photophysical properties, reactive oxygen yields and in vitro PDT activities were investigated systematically. The results showed that the water solubility of these dyes was significantly enhanced after introducing carboxylate groups. All dyes exhibited large TPA cross-section around 1000-1400 GM at 840 nm. In addition, they could generate both superoxide anion radical and singlet oxygen species under illumination. However, only the dye Y1 modified by one carboxylate group presented strong PDT activity to human rectal cancer 1116 cells, which indicated that moderate water-lipid amphipathy was a very important factor for PDT dyes. Finally, Y1 was proved to have large potential in TPE-PDT by in vitro experiments. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.06.002