1-(2-amino-ethyl)-3-(4-fluoro-phenyl)-urea | 943141-04-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-amino-ethyl)-3-(4-fluoro-phenyl)-urea
• 英文别名: 1-(2-Aminoethyl)-3-(4-fluorophenyl)urea
• CAS: 943141-04-6
• 化学式: C₉H₁₂FN₃O
• 分子量: 197.212
• InChiKey: NXGGAYRTCJHQIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-amino-ethyl)-3-(4-fluoro-phenyl)-urea 、 (S)-(+)-3-(2-cyanophenoxy)-1,2-epoxypropane 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10%的产率得到(S)-1-(2-(3-(2-cyanophenoxy)-2-hydroxypropylamino)ethyl)-3-(4-fluorophenyl)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：

  异氰酸对氟苯基酯 在 盐酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 1-(2-amino-ethyl)-3-(4-fluoro-phenyl)-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

• WO2007/71400
  申请人：——

  公开号：——

  公开（公告）日：——
• PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKER
  申请人：Novartis AG

  公开号：EP1966165A1

  公开（公告）日：2008-09-10
• Organic Compounds
  申请人：Collingwood Stephen Paul

  公开号：US20080312212A1

  公开（公告）日：2008-12-18

  A compound of formula (I) or tautomers, or stereoisomers, or solvates, or pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, T, L, W, X, Y and A are as defined herein for the for treatment of conditions mediated by the blockade of an epithelial sodium channel, particularly an inflammatory or allergic condition.
• [EN] PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKER<br/>[FR] DERIVES DE PYRAZINE EN TANT QUE BLOQUEUR DU CANAL SODIQUE EPITHELIAL
  申请人：NOVARTIS AG

  公开号：WO2007071400A1

  公开（公告）日：2007-06-28

  [EN] A compound of formula (I) or tautomers, or stereoisomers, or solvates, or pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, T, L, W, X, Y and A are as defined herein for the for treatment of conditions mediated by the blockade of an epithelial sodium channel, particularly an inflammatory or allergic condition.
  [FR] La présente invention concerne un composé de formule (I) ou des tautomères, ou stéréoisomères, ou solvates, ou des sels pharmaceutiquement acceptables de ceux-ci, dans laquelle R1, R2, R3, R4, R5, T, L, W, X, Y et A sont tels que définis dans la description pour le traitement de conditions liées au blocage du canal sodique épithélial, notamment une pathologie inflammatoire ou allergique.
• 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.