1-(3-nitrophenyl)-3-(4-sulfamoylphenyl)(11C)urea | 1349175-65-0

• 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-(3-nitrophenyl)-3-(4-sulfamoylphenyl)(11C)urea
• CAS: 1349175-65-0
• 化学式: C₁₃H₁₂N₄O₅S
• 分子量: 335.317
• InChiKey: MTGVDZIMBQRGPD-HSGWXFLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  156
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  、 磺胺 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 1-(3-nitrophenyl)-3-(4-sulfamoylphenyl)(11C)urea
  参考文献：
  名称：

  Radiosynthesis of three [11C]ureido-substituted benzenesulfonamides as PET probes for carbonic anhydrase IX in tumors

  摘要：

  Three ureido-substituted benzenesulfonamides 1a-c have been developed as potent inhibitors for carbonic anhydrase IX, which is overexpressed in hypoxic tumors. In this study, we labeled these unsymmetrical ureas 1a-c using [C-11]phosgene ([C-11]COCl2) as a labeling agent with the expectation that [C-11]1a-c could become promising positron tomography probes for imaging carbonic anhydrase IX in tumors. The strategy for radiosynthesis of [C-11]1a-c was to react hydrochloride of anilines 2a-c with [C-11]COCl2 to give isocyanate [C-11]4a-c, followed by a reaction with 4-aminobenzenesulfonamide (3). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.102

文献信息

• Radiosynthesis of three [11C]ureido-substituted benzenesulfonamides as PET probes for carbonic anhydrase IX in tumors
  作者：Chiharu Asakawa、Masanao Ogawa、Katsushi Kumata、Masayuki Fujinaga、Tomoteru Yamasaki、Lin Xie、Joji Yui、Kazunori kawamura、Toshimitsu Fukumura、Ming-Rong Zhang

  DOI：10.1016/j.bmcl.2011.09.102

  日期：2011.12

  Three ureido-substituted benzenesulfonamides 1a-c have been developed as potent inhibitors for carbonic anhydrase IX, which is overexpressed in hypoxic tumors. In this study, we labeled these unsymmetrical ureas 1a-c using [C-11]phosgene ([C-11]COCl2) as a labeling agent with the expectation that [C-11]1a-c could become promising positron tomography probes for imaging carbonic anhydrase IX in tumors. The strategy for radiosynthesis of [C-11]1a-c was to react hydrochloride of anilines 2a-c with [C-11]COCl2 to give isocyanate [C-11]4a-c, followed by a reaction with 4-aminobenzenesulfonamide (3). (C) 2011 Elsevier Ltd. All rights reserved.