| 134109-76-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 134109-76-5
• 化学式: C₄₂H₄₄N₈O
• 分子量: 676.864
• InChiKey: YFCZLJGILRMUPA-JWXGHDDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.71
• 重原子数：
  51.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  169.59
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  7-oxo-17,18-dihydroxybacteriochlorin 、 四氰基乙烯 在 盐酸 作用下， 生成 、
  参考文献：
  名称：

  Synthesis and in vivo photodynamic activity of some bacteriochlorin derivatives against bladder tumors in rodents

  摘要：

  Bacteriochlorins have been suggested as potential photosensitizers for use in photodynamic therapy. We have shown that bacteriochlorin-like macrocycles can be generated through cyclization of either 5,10- or 5,15-bis[(ethoxycarbonyl)vinyl]porphyrins; however, the resulting products are rapidly decomposed on exposure to air. More stable systems can be generated by Diels-Alder reactions between dienophiles such as dimethyl acetylenedicarboxylate or tetracyanoethylene, and vinylporphyrinones. Although spectroscopic properties of these latter products resemble those of porphyrinones rather than bacteriochlorins, in vivo studies using the N-[4-(5-nitro-2-furyl)-2-thiazolyl]-formamide-induced rat bladder tumor (AY-27) transplanted into Fisher CDF (F344)/CrlBr rats demonstrated a powerful photodynamic response.

  DOI：

  10.1021/jm00111a031