| 1338245-63-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1338245-63-8
• 化学式: C₄₈H₃₆CuN₄O₅
• 分子量: 812.384
• InChiKey: JMQIOGAAMRAYNF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 硫酸 、 戴斯-马丁氧化剂 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.13h， 生成 5,10,15,20-tetrakis-(3-methoxyphenyl)-7,8-dihexyl-7,8-dihydroxy-7,8-chlorin
  参考文献：
  名称：

  Synthesis of β-functionalized Temoporfin derivatives for an application in photodynamic therapy

  摘要：

  The synthesis of novel beta-functionalized derivatives of the clinically used photosensitizer Temoporfin has been achieved by nucleophilic addition reactions to a corresponding diketo chlorin. The beta-substituted dihydroxychlorin products exhibit a strong absorption in the red spectral region, a high singlet oxygen quantum yield, and were found to be highly effective in in vitro assays against HT-29 tumor cells. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.113
• 作为产物：
  描述：

  [2-nitro-5,10,15,20-tetrakis(3-methoxyphenyl)porphyrinato]copper(II) 在 sodium hydride 、 苯甲醛肟 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis of β-functionalized Temoporfin derivatives for an application in photodynamic therapy

  摘要：

  The synthesis of novel beta-functionalized derivatives of the clinically used photosensitizer Temoporfin has been achieved by nucleophilic addition reactions to a corresponding diketo chlorin. The beta-substituted dihydroxychlorin products exhibit a strong absorption in the red spectral region, a high singlet oxygen quantum yield, and were found to be highly effective in in vitro assays against HT-29 tumor cells. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.113