1-(2-(iodo-125I)-4-(2-methoxyethyl)phenoxy)-3-(isopropylamino)propan-2-ol | 1251957-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-(2-(iodo-125I)-4-(2-methoxyethyl)phenoxy)-3-(isopropylamino)propan-2-ol
• CAS: 1251957-60-4
• 化学式: C₁₅H₂₄INO₃
• 分子量: 391.36
• InChiKey: VGZQXKGNIYAUJF-RFLHHMENSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.22
• 重原子数：
  20.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  50.72
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  metoprolol tartrate 在 sodium iodide 、 sodium salt of N-methyl toluenesulfonamide 作用下， 反应 0.17h， 生成 1-(2-(iodo-125I)-4-(2-methoxyethyl)phenoxy)-3-(isopropylamino)propan-2-ol
  参考文献：
  名称：

  Preparation of radioiodo-metoprolol and its biological evaluation as a possible cardiac imaging agent

  摘要：

  I-125-Metoprolol was prepared by electrophilic substitution reaction in the presence of Chloramine-T (CAT) as an oxidizing agent. The reaction conditions were optimized. The radiochemical yield of I-125-metoprolol exceeding 90% was attained in 10 min at ambient temperature ( 25 +/- 1 degrees C). The radiochemical yield and purity of the labeled product were evaluated by electrophoresis, thin-layer chromatography (TLC), and high-performance liquid chromatography (HPLC). Biodistribution studies of I-125-iodometoprolol were carried out in normal Albino Swiss mice. The results indicate the possibility of using [I-125]-iodometoprolol for myocardial imaging.

  DOI：

  10.1134/s1066362210020165