12-doxylstearic acid | 29545-47-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 12-doxylstearic acid
• 英文别名: 3-Oxazolidinyloxy, 2-(10-carboxydecyl)-2-hexyl-4,4-dimethyl-
• CAS: 29545-47-9
• 化学式: C₂₂H₄₂NO₄
• 分子量: 384.58
• InChiKey: BCSQTDYXKYRTKX-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-dioleoylglycerol 、 12-doxylstearic acid 在 N,N'-羰基二咪唑 作用下， 生成 C₆₁H₁₁₂NO₈
  参考文献：
  名称：

  摘要：

  Purpose. We applied non-invasive and real-time method with in vivo ESR spectroscopy to determining pharmacokinetics and metabolism of lipid emulsion as a drug carrier in living mice.Methods. A spin-labeled triglyceride (SL-TG) was newly synthesized and lipid emulsion containing SL-TG was prepared. In vivo ESR spectra in mice were observed after intravenous administration of the lipid emulsion.Results. In vivo ESR spectra consisted of three components, coinciding with the in vitro spectra of SL-TG particles, free and immobilized fatty acids. The amount of the components depended on both the observing domain and the period after administration. In the chest, all three components were observed, while SL-TG particle was lacking in the abdomen. The half-life of the lipid particles in the chest was 2 hr.Conclusions. Non-invasive and real-time analysis of drug carriers in living animal is successfully accomplished using an in vivo ESR method.

  DOI：

  10.1023/a:1016047532687
• 作为产物：
  描述：

  12-氧代十八烷酸甲酯 在 sodium hydroxide 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 254.0h， 生成 12-doxylstearic acid
  参考文献：
  名称：

  提高自旋标记脂肪酸合成的产量

  摘要：

  摘要 顺磁性酰胺副产物 (6a-g) 已从多西基型自旋标记脂肪酸合成中的反应混合物中分离出来。在水解成相应的酸 7 后，与已发表的程序相比，自旋标记脂肪酸的总产率显着增加。

  DOI：

  10.1081/scc-200032488

文献信息

• Improved Yields in the Synthesis of Spin‐Labeled Fatty Acids
  作者：Janez Mravljak、Slavko Pečar

  DOI：10.1081/scc-200032488

  日期：2004.1.1

  Paramagnetic amide side products (6a–g) have been isolated from the reaction mixture in the synthesis of spin‐labeled fatty acids of the doxyl type. After their hydrolysis to the corresponding acid, 7, the overall yield of spin‐labeled fatty acids is significantly increased compared with published procedures.

  摘要 顺磁性酰胺副产物 (6a-g) 已从多西基型自旋标记脂肪酸合成中的反应混合物中分离出来。在水解成相应的酸 7 后，与已发表的程序相比，自旋标记脂肪酸的总产率显着增加。
• ——
  作者：Tetsuo Yamaguchi、Shigeru Itai、Hidefumi Hayashi、Seiji Soda、Akira Hamada、Hideo Utsumi

  DOI：10.1023/a:1016047532687

  日期：——

  Purpose. We applied non-invasive and real-time method with in vivo ESR spectroscopy to determining pharmacokinetics and metabolism of lipid emulsion as a drug carrier in living mice.Methods. A spin-labeled triglyceride (SL-TG) was newly synthesized and lipid emulsion containing SL-TG was prepared. In vivo ESR spectra in mice were observed after intravenous administration of the lipid emulsion.Results. In vivo ESR spectra consisted of three components, coinciding with the in vitro spectra of SL-TG particles, free and immobilized fatty acids. The amount of the components depended on both the observing domain and the period after administration. In the chest, all three components were observed, while SL-TG particle was lacking in the abdomen. The half-life of the lipid particles in the chest was 2 hr.Conclusions. Non-invasive and real-time analysis of drug carriers in living animal is successfully accomplished using an in vivo ESR method.