sodium 4-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperazine-1-carbodithioate | 1266608-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: sodium 4-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperazine-1-carbodithioate
• CAS: 1266608-79-0
• 化学式: C₁₁H₁₆N₅O₂S₂*Na
• 分子量: 337.402
• InChiKey: BMNKUQQOKANQTA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.45
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  67.44
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  二硫化碳 、 1-(2-(2-甲基-5-硝基-1H-咪唑-1-基)乙基)哌嗪 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 sodium 4-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperazine-1-carbodithioate
  参考文献：
  名称：

  Synthesis and biological characterisation of novel dithiocarbamate containing 5-nitroimidazole 99mTc-complexes as potential agents for targeting hypoxia

  摘要：

  With the aim to develop new potential Tc-99m-radiopharmaceuticals for imaging hypoxia based on the formation of Tc-nitrido complexes, two novel dithiocarbamate containing metronidazole derivatives (L1 and L2) have been prepared and characterised. The synthesis of L1 and L2 was achieved in excellent yield and high purity. Labelling with Tc-99m was successfully performed using a low ligand concentration (approximately 2-3 mg) and the desired products were obtained with high radiochemical purity (>90%). Lipophilicity, plasma protein binding, and biodistribution in normal- and tumour-bearing-CD1 mice studies were performed to asses the potentiality for nuclear medicine oncology. According to the physicochemical and biological behaviour both in healthy animals and in animals bearing solid tumours complex dtcTc1 could be considered as a starting point for the development of new radiopharmaceuticals for imaging hypoxia. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.130