[¹⁸F]-3-fluoro-2-(4-((2-nitro-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)propan-1-ol | 1070878-86-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: [¹⁸F]-3-fluoro-2-(4-((2-nitro-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)propan-1-ol
• 英文别名: Flortanidazole (18F)；3-(18F)fluoranyl-2-[4-[(2-nitroimidazol-1-yl)methyl]triazol-1-yl]propan-1-ol
• CAS: 1070878-86-2
• 化学式: C₉H₁₁FN₆O₃
• 分子量: 269.225
• InChiKey: ZSSPATINHRVRTN-LMANFOLPSA-N

物化性质

• 密度：
  1.670±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-(2-nitrobenzenesulfonyloxy)-2-[4-((2-nitro-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]propyl acetate 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 生成 [¹⁸F]-3-fluoro-2-(4-((2-nitro-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)propan-1-ol
  参考文献：
  名称：

  Continuous Flow Microfluidic Chemistry: Synthesis of [18F]-3-Fluoro-2-(4-((2-nitro-1H-Imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)Propan-1-ol, [18F]F-HX4, A Potent Hypoxia Agent

  摘要：

  The microfluidic synthesis of the promising hypoxia imaging agent [F-18]-3-fluoro-2-(4-((2-nitro-IH-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)propan-1-ol, [F-18]F-HX4, was successfully accomplished using a commercial microfluidic system. A decay corrected radiochemical yield of 48 4% (n=4) and radiochemical purity of >= 98% was obtained. The total reaction time including the HPLC purification was 40 min.

  DOI：

  10.3987/com-15-s(t)28

文献信息

• Nitro-Imidazole Hypoxia Imaging Agents
  申请人：Kolb Hartmuth C.

  公开号：US20090010846A1

  公开（公告）日：2009-01-08

  The present invention relates to novel radioactively labeled bioreducible tracers of Formula I useful for detecting hypoxic tumors or ischemic tissue in vivo. In one embodiment, the tracers consist of a 2-nitroimidazole moiety, a triazole, metabolically stable linker with pharmacokinetics enhancing substituents, and a radioisotope. The preferred in vivo imaging modality is positron emission tomography.

  本发明涉及一种新型的放射性标记的生物可还原示踪剂，其化学式为I，用于体内检测低氧肿瘤或缺血组织。在一个实施例中，示踪剂由2-硝基咪唑基团、三唑、代谢稳定的连接物质和药代动力学增强取代基组成，并带有一个放射性同位素。首选的体内成像技术是正电子发射断层扫描。
• Nitro-imidazole hypoxia imaging agents
  申请人：Siemens Medical Solutions USA, Inc.

  公开号：US07807394B2

  公开（公告）日：2010-10-05

  The present invention relates to novel radioactively labeled bioreducible tracers of Formula I useful for detecting hypoxic tumors or ischemic tissue in vivo. In one embodiment, the tracers consist of a 2-nitroimidazole moiety, a triazole, metabolically stable linker with pharmacokinetics enhancing substituents, and a radioisotope. The preferred in vivo imaging modality is positron emission tomography.

  本发明涉及一种新型放射性标记的生物还原追踪剂，其化学式为I，可用于体内检测缺氧肿瘤或缺血组织。在一个实施例中，追踪剂由2-硝基咪唑基团、三唑基团、代谢稳定的连接剂和药代动力学增强取代基组成，并带有一个放射性同位素。首选的体内成像模式是正电子发射断层扫描。
• Nitro-Imidazole Hypoxia Imaging Agent
  申请人：Collier Thomas Lee

  公开号：US20110002850A1

  公开（公告）日：2011-01-06

  The present invention relates to novel radioactively labeled bioreducible tracers of Formula I useful for detecting hypoxic tumors or ischemic tissue in vivo. In one embodiment, the tracers consist of a 2-nitroimidazole moiety, a triazole, metabolically stable linker with pharmacokinetics enhancing substituents, and a radioisotope. The preferred in vivo imaging modality is positron emission tomography.

  本发明涉及一种新型的放射性标记的生物还原追踪剂I式，用于检测体内缺氧肿瘤或缺血组织。在一种实施方案中，追踪剂由2-硝基咪唑基团、三唑基团、代谢稳定的连接剂以及药代动力学增强取代基和放射性同位素组成。首选的体内成像方式是正电子发射断层扫描。
• Synthesis of 18F-labeled Tracers in Hydrous Organic Solvents
  申请人：Gangadharmath Umesh

  公开号：US20130005956A1

  公开（公告）日：2013-01-03

  A method for synthesizing an 18 F-labeled probe. The method includes a step of eluting an amount of 18 F with a first solvent which includes a predetermined amount of water and at least one organic solvent. In this step, the 18 F elutes as an 18 F solution. The method also includes a step of using the 18 F solution to perform 18 F-labeling in the presence of at least one labeling reagent and at least one phase transfer catalyst so as to generate the 18 F-labeled probe. In the method, there is no step of drying the 18 F starting from a time when the eluting step is performed and ending at a time when the 18 F-labeling step is performed.
• US7807394B2
  申请人：——

  公开号：US7807394B2

  公开（公告）日：2010-10-05