5-(3-Oxobutyl)-barbitursaeure | 20527-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(3-Oxobutyl)-barbitursaeure
• 英文别名: 5-butyl-3-one barbituric acid；5-(3-Oxobutyl)-perhydropyrimidine-2,4,6-trione；5-(3-oxo-butyl)-pyrimidine-2,4,6-trione；5-(3-Oxobutyl)-1,3-diazinane-2,4,6-trione
• CAS: 20527-59-7
• 化学式: C₈H₁₀N₂O₄
• 分子量: 198.178
• InChiKey: JLQUNMLDLPVUJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.3
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• NANOPARTICLES FOR MAGNETIC RESONANCE IMAGING TRACKING AND METHODS OF MAKING AND USING THEREOF
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20160206760A1

  公开（公告）日：2016-07-21

  Surface conjugated diamagnetic Chemical Exchange Saturation Transfer (diaCEST) agent carriers and methods of making and using are described herein. The particles are safe alternatives to conventional paramagnetic or superparamagnetic metal-based MRI contrast agents that are often toxic and therefore not biocompatible. The carriers described herein can provide simultaneous monitoring of multiple particle types labeled with ‘multicolor’ diaCEST contrast agents. In some embodiments, the carriers are micro- and/or nanoparticles. In other embodiments, the carriers are liposomes. In some embodiments, the particles and/or liposomes are mucus penetrating. In other embodiments, the particles and/or liposomes are not mucus penetrating.