3,3,9,9-Tetramethyl-1-(2-nitro-1H-imidazo-1-yl)-4,8-diazaundecane-2,10-dione dioxime | 149876-70-0

• 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: 3,3,9,9-Tetramethyl-1-(2-nitro-1H-imidazo-1-yl)-4,8-diazaundecane-2,10-dione dioxime
• 英文别名: N-[3-[3-[(3-hydroxyimino-2-methylbutan-2-yl)amino]propylamino]-3-methyl-1-(2-nitroimidazol-1-yl)butan-2-ylidene]hydroxylamine
• CAS: 149876-70-0
• 化学式: C₁₆H₂₉N₇O₄
• 分子量: 383.451
• InChiKey: MZBUHSRGUSFGOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  153
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3,3,9,9-Tetramethyl-1-(2-nitro-1H-imidazo-1-yl)-4,8-diazaundecane-2,10-dione dioxime 在 碳酸氢钠 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4,4,10,10-Tetramethyl-1-(2-nitro-1H-imidazo-1-yl)-5,9-diazadodecane-3,11-dione dioxime
  参考文献：
  名称：

  Diagnostic imaging methods using rhenium and technetium complexes

  摘要：

  新颖的方法、过程和与缺氧定位基团结合的金属配合物被揭示，所述金属优选为铼或锝的放射性核素；一种缺氧定位基团；以及一种络合配体，其中所述配体和所述放射性核素的结合具有大于蔗糖的细胞膜渗透性。

  公开号：

  US05688487A1

文献信息

• Synthesis and radiolabeling of 64Cu-labeled 2-nitroimidazole derivative 64Cu-BMS2P2 for hypoxia imaging
  作者：Zheng Luo、Hua Zhu、Xinfeng Lin、Taiwei Chu、Ruyi Luo、Yunhua Wang、Zhi Yang

  DOI：10.1016/j.bmcl.2016.01.077

  日期：2016.3

  The objective of this study was to develop a positron emission tomography (PET) probe with hypoxia targeting specificity and a relatively long half-life. The synthesis, Cu-64-labeling in vitro and in vivo study of the novel 2-nitroimidazole complex Cu-64-BMS2P2 is presented in this study. The hypoxia targeting capacity of Cu-64-BMS2P2 in vitro was evaluated and compared with the Cu-64-BMS181321, and confirmed by PET imaging in vivo and immunohistochemistry for carbonic anhydrase 9 (CA9) in a tumor mouse model. These results suggest that Cu-64-BMS2P2 is a promising candidate for PET hypoxia imaging and worthy of further investigations in dynamic hypoxia imaging. (C) 2016 Elsevier Ltd. All rights reserved.
• Diagnostic imaging methods using rhenium and technetium complexes
  申请人：Bracco International B.V.

  公开号：US05688487A1

  公开（公告）日：1997-11-18

  Novel methods, processes and metal complexes attached to a hypoxia-localizing moiety comprising a metal, preferably radionuclide of rhenium or technetium; a hypoxia-localizing moiety; and, a complexing ligand, wherein said ligand and said radionuclide combined have cell membrane permeabilities greater than that of sucrose, are disclosed.

  新颖的方法、过程和与缺氧定位基团结合的金属配合物被揭示，所述金属优选为铼或锝的放射性核素；一种缺氧定位基团；以及一种络合配体，其中所述配体和所述放射性核素的结合具有大于蔗糖的细胞膜渗透性。