1-(2-Aminoethyl)-3-(1,3-thiazol-2-yl)urea | 1323277-53-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-Aminoethyl)-3-(1,3-thiazol-2-yl)urea
• 英文别名: 1-(2-aminoethyl)-3-(1,3-thiazol-2-yl)urea
• CAS: 1323277-53-7
• 化学式: C₆H₁₀N₄OS
• 分子量: 186.238
• InChiKey: COXBLWAFWCENQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-3-氟-2-氰基苯基缩水甘油醚 、 1-(2-Aminoethyl)-3-(1,3-thiazol-2-yl)urea 在 二乙基甲氧基硼烷 、 N,N-二异丙基乙胺 、 ytterbium(III) triflate 作用下， 以 乙腈 为溶剂， 以17%的产率得到(S)-1-(2-(3-(2-cyano-3-fluorophenoxy)-2-hydroxypropylamino)ethyl)-3-(thiazol-2-yl)urea
  参考文献：
  名称：

  Synthesis and Cardiac Imaging of ¹⁸F-Ligands Selective for β₁-Adrenoreceptors

  摘要：

  A series of potent and selective beta(1)-adrenoreceptor ligands were identified (IC50 range, 0.04-0.25 nM; beta(1)/beta(2) selectivity range, 65-450-fold), labeled with the PET radioisotope fluorine-18 and evaluated in normal Sprague-Dawley rats. Tissue distribution studies demonstrated uptake of each radiotracers from the blood pool into the myocardium (0.48-0.62% ID/g), lung (0.63-0.97% ID/g), and liver (1.03-1.14% ID/g). Dynamic mu PET imaging confirmed the in vivo dissection studies.

  DOI：

  10.1021/ml1002458
• 作为产物：
  描述：

  tert-butyl 2-(3-thiazol-2-ylureido)ethylcarbamate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以100%的产率得到1-(2-Aminoethyl)-3-(1,3-thiazol-2-yl)urea
  参考文献：
  名称：

  Synthesis and Cardiac Imaging of ¹⁸F-Ligands Selective for β₁-Adrenoreceptors

  摘要：

  A series of potent and selective beta(1)-adrenoreceptor ligands were identified (IC50 range, 0.04-0.25 nM; beta(1)/beta(2) selectivity range, 65-450-fold), labeled with the PET radioisotope fluorine-18 and evaluated in normal Sprague-Dawley rats. Tissue distribution studies demonstrated uptake of each radiotracers from the blood pool into the myocardium (0.48-0.62% ID/g), lung (0.63-0.97% ID/g), and liver (1.03-1.14% ID/g). Dynamic mu PET imaging confirmed the in vivo dissection studies.

  DOI：

  10.1021/ml1002458

文献信息

• Synthesis and Cardiac Imaging of ¹⁸F-Ligands Selective for β₁-Adrenoreceptors
  作者：Heike S. Radeke、Ajay Purohit、Thomas D. Harris、Kelley Hanson、Reinaldo Jones、Carol Hu、Padmaja Yalamanchili、Megan Hayes、Ming Yu、Mary Guaraldi、Mikhail Kagan、Michael Azure、Michael Cdebaca、Simon Robinson、David Casebier

  DOI：10.1021/ml1002458

  日期：2011.9.8

  A series of potent and selective beta(1)-adrenoreceptor ligands were identified (IC50 range, 0.04-0.25 nM; beta(1)/beta(2) selectivity range, 65-450-fold), labeled with the PET radioisotope fluorine-18 and evaluated in normal Sprague-Dawley rats. Tissue distribution studies demonstrated uptake of each radiotracers from the blood pool into the myocardium (0.48-0.62% ID/g), lung (0.63-0.97% ID/g), and liver (1.03-1.14% ID/g). Dynamic mu PET imaging confirmed the in vivo dissection studies.