| 119259-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• CAS: 119259-04-0；131531-42-5；131531-62-9
• 化学式: C₇₂H₇₈N₈O₁₁
• 分子量: 1231.46
• InChiKey: JZRLNIXJNRAEJB-ZBBNYIMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.92
• 重原子数：
  91.0
• 可旋转键数：
  18.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  263.29
• 氢给体数：
  4.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 作用下， 以80%的产率得到
  参考文献：
  名称：

  Syntheses, stability, and tumorcidal activity of porphyrin dimers and trimers with ether linkages

  摘要：

  The first syntheses of a series of regiochemically pure porphyrin dimers and trimers with ether linkages which are structurally related to Photofrin-II(R) are described. Stability of these oligomers was investigated using variable temperature proton NMR spectroscopy, and preliminary biological results reveal that manupulation of peripheral substituents causes a remarkable difference in photosensitizing ability in vivo.

  DOI：

  10.1016/s0040-4039(00)88499-3
• 作为产物：
  描述：

  2-acetyl-4-(1-hydroxyethyl)-6,7-bis<2-(methoxycarbonyl)ethyl>-1,3,5,8-tetramethylporphyrin 在 氢溴酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Syntheses, stability, and tumorcidal activity of porphyrin dimers and trimers with ether linkages

  摘要：

  The first syntheses of a series of regiochemically pure porphyrin dimers and trimers with ether linkages which are structurally related to Photofrin-II(R) are described. Stability of these oligomers was investigated using variable temperature proton NMR spectroscopy, and preliminary biological results reveal that manupulation of peripheral substituents causes a remarkable difference in photosensitizing ability in vivo.

  DOI：

  10.1016/s0040-4039(00)88499-3