N-(2-hydroxy-3,3,3-trifluoropropyl)-2-(2-nitroimidazolyl)acetamide | 167648-73-9

• 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: N-(2-hydroxy-3,3,3-trifluoropropyl)-2-(2-nitroimidazolyl)acetamide
• 英文别名: SR-4554；N-(2-hydroxy-3,3,3-trifluoropropyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide；N-(2-Hydroxy-3,3,3-trifluoropropyl)-2-(2-nitro-1-imidazolyl)acetamide；2-(2-nitroimidazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
• CAS: 167648-73-9
• 化学式: C₈H₉F₃N₄O₄
• 分子量: 282.179
• InChiKey: BTLNRJMECFTISR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-氨基-1,1,1-三氟丙烷-2-醇盐酸盐 、 2-(2-硝基咪唑-1-基)乙酸 在 3-氨基-1,1,1-三氟丙烷-2-醇盐酸盐 作用下， 生成 N-(2-hydroxy-3,3,3-trifluoropropyl)-2-(2-nitroimidazolyl)acetamide
  参考文献：
  名称：

  Fluorinated 2-nitroimidazole analogs for detecting hypoxic tumor cells

  摘要：

  提供了用于检测缺氧肿瘤细胞的药剂。这些化合物具有结构式（I）##STR1## 还提供了使用这些化合物检测缺氧肿瘤细胞的方法，以及使用这些新化合物制备的药物组成物。

  公开号：

  US05721265A1

文献信息

• Staudinger Reaction in Imaging and Therapy and Kits for Use in Imaging and Therapy
  申请人：Robillard Marc Stefan

  公开号：US20080274057A1

  公开（公告）日：2008-11-06

  The Staudinger reaction can be used for activation of prodrugs or pro-imaging probes. The invention relates to a method of preparing and activating prodrugs or pro-imaging probes by using the Staudinger reaction and to kits for medical imaging and/or therapy comprising at least one prodrug and/or pro-imaging probe comprising at least one azide and/or phosphine group.

  Staudinger反应可用于激活前药或前成像探针。该发明涉及一种利用Staudinger反应制备和激活前药或前成像探针的方法，以及包括至少一种含有叠氮基团和/或膦基团的前药和/或前成像探针的医学成像和/或治疗套件。
• 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。
• FLUORINATED 2-NITROIMIDAZOLE ANALOGS FOR DETECTING HYPOXIC TUMOR CELLS
  申请人：SRI INTERNATIONAL

  公开号：EP0775117A1

  公开（公告）日：1997-05-28
• 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
• Targeted Imaging and/or Therapy Using the Staudinger Ligation
  申请人：Robillard Marc Stefan

  公开号：US20080181847A1

  公开（公告）日：2008-07-31

  The use of a selective chemical and bioorthogonal reaction providing a covalent ligation such as the Staudinger ligation, in targeted molecular imaging and therapy is presented, more specifically with interesting applications for pre-targeted imaging or therapy. Current pre-targeted imaging is hampered by the fact that it relies solely on natural/biological targeting constructs (i.e. biotin/streptavidin). Size considerations and limitations associated with their endogenous nature severely limit the number of applications. The present invention describes how the use of an abiotic, bio-orthogonal reaction which forms a stable adduct under physiological conditions, by way of a small or undetectable bond, can overcome these limitations.