N-(2-氟乙基)-2-(2-硝基-1H-咪唑-1-基)乙酰胺 | 199800-19-6

• 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
• 中文名称: N-(2-氟乙基)-2-(2-硝基-1H-咪唑-1-基)乙酰胺
• 英文名称: FETA
• 英文别名: N-(2-fluoroethyl)-2-(2-nitroimidazol-1-yl)acetamide
• CAS: 199800-19-6
• 化学式: C₇H₉FN₄O₃
• 分子量: 216.172
• InChiKey: JDEQUZYNZXTLAX-UHFFFAOYSA-N

物化性质

• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(2-硝基咪唑-1-基)乙酸 以 乙腈 为溶剂， 反应 0.17h， 生成 N-(2-氟乙基)-2-(2-硝基-1H-咪唑-1-基)乙酰胺
  参考文献：
  名称：

  Tewson, T. J., Journal of labelled compounds and radiopharmaceuticals, 1997, vol. 40, p. 56 - 57

  摘要：

  DOI：

文献信息

• [EN] APPLICATION OF STAUDINGER LIGATION IN PET IMAGING<br/>[FR] APPLICATION D'UNE LIGATURE DE STAUDINGER EN IMAGERIE TEP
  申请人：SIEMENS MEDICAL SOLUTIONS

  公开号：WO2011123444A1

  公开（公告）日：2011-10-06

  A method for generating a radiolabeled tracer. The method includes providing a phosphine molecule having at least one carbocyclic, aromatic, or pyrrolidinyl ring with an OH substitute. The OH of this phosphines molecule is then condensed with an acid to produce a phosphine ester. Staudinger ligation is then performed to generate the radiolabeled tracer by treating the phosphine ester with a radiolabeled azide having a PET radioisotope moiety

  一种生成放射性标记示踪剂的方法。该方法包括提供至少具有一个环烷基、芳香基或吡咯烷基的磷化物分子，该分子上含有一个OH取代基。然后将该磷化物分子的OH与酸缩合以产生磷酸酯。最后，通过使用带有PET放射性同位素基团的放射性偶氮酰基化合物与磷酸酯进行斯陶丁格反应，生成放射性标记示踪剂。
• Compounds And Methods For Selective Imaging And/Or Ablation
  申请人：Auckland Uniservices Limited

  公开号：US20150010474A1

  公开（公告）日：2015-01-08

  The invention relates generally to compounds and methods for imaging and/or selective ablation of nitroreductase-expressing cells and/or biological agents. More particularly, although not exclusively, the invention provides compounds that are selectively metabolised by bacterial nitroreductases and are substantially insensitive to metabolism under oxic or hypoxic conditions by human nitroreductase enzymes.

  本发明涉及化合物和方法，用于成像和/或选择性消融硝基还原酶表达的细胞和/或生物制剂。更具体地说，虽然不仅限于此，本发明提供的化合物被细菌硝基还原酶选择性代谢，且在人类硝基还原酶酶下氧化或缺氧条件下代谢相对不敏感。
• Bacterial nitroreductase enzymes and methods relating thereto
  申请人：Guise Christopher Paul

  公开号：US10357577B2

  公开（公告）日：2019-07-23

  The invention relates generally to bacterial nitroreductase enzymes and methods of use thereof: more particularly, although not exclusively, the enzymes have use in non-invasive imaging techniques, monitoring of therapeutic cell populations and gene-directed enzyme prodrug therapy. The invention also relates to the use of bacterial nitroreductase enzymes in radioimaging and/or ablation of biological agents and to compositions of use in such methods.

  本发明一般涉及细菌硝基还原酶及其使用方法：更具体地说，尽管不完全是，这种酶可用于非侵入性成像技术、治疗细胞群监测和基因导向酶原药治疗。本发明还涉及细菌硝基还原酶在放射成像和/或生物制剂消融中的应用，以及在此类方法中的使用组合物。
• BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO
  申请人：Auckland Uniservices Limited

  公开号：EP2593796A2

  公开（公告）日：2013-05-22
• Application of Staudinger Ligation in PET Imaging
  申请人：Kasi Dhanalakshmi

  公开号：US20130005972A1

  公开（公告）日：2013-01-03

  A method for generating a radiolabeled tracer. The method includes providing a phosphine molecule having at least one carbocyclic, aromatic, or pyrrolidinyl ring with an OH substitute. The OH of this phosphines molecule is then condensed with an acid to produce a phosphine ester. Staudinger ligation is then performed to generate the radiolabeled tracer by treating the phosphine ester with a radiolabeled azide having a PET radioisotope moiety.