1-(4-Iodonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol | 72878-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(4-Iodonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
• CAS: 72878-23-0
• 化学式: C₁₆H₂₀INO₂
• 分子量: 385.245
• InChiKey: XRKPNDXSCNFPNT-UHFFFAOYSA-N

物化性质

• 沸点：
  496.6±40.0 °C(Predicted)
• 密度：
  1.486±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Iodonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol 、 Na(125)I 生成 1-(4-(125I)iodanylnaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
  参考文献：
  名称：

  HANSON R. N.; HOLMAN B. L.; DAVIS M. A., J. MED. CHEM., 1978, 21, NO 8, 830-833 D2#2#

  摘要：

  DOI：
• 作为产物：
  描述：

  Inderal 在 一氯化碘 作用下， 以 溶剂黄146 为溶剂， 生成 1-(4-Iodonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
  参考文献：
  名称：

  Synthesis and biologic distribution of radioiodinated .beta.-adrenergic antagonists

  摘要：

  Iodinated analogues 2, 7, and 8 were prepared from propranolol, practolol, and acebutolol in 30--50% yields. Radioisotopic exchange between carrier-free Na125I and the molten iodinated beta-adrenergic antagonist yielded the corresponding 125I-labeled product. The biodistribution in rats, determined at 15 and 60 min postinjection, indicated that the radioiodinated analogues of the cardioselective drugs practolol and acebutolol localized to a greater degree in the liver and heart than the analogue of propranolol. Conversely, [125I]iodopropranolol (2) was concentrated to a greater extent in the lungs than [125I]iodopractolol (7) or [125I]iodoacebutolol (8). Therefore, 123I- or 131I-labeled cardioselective beta-adrenergic antagonists, such as 7 or 8, may prove useful as radiodiagnostic agents for the external imaging of the myocardium.

  DOI：

  10.1021/jm00206a025