1-(2-(2-甲基-5-硝基-1H-咪唑-1-基)乙基)哌嗪 | 1001314-76-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(2-(2-甲基-5-硝基-1H-咪唑-1-基)乙基)哌嗪
• 英文名称: 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperazine
• 英文别名: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-piperazine；1-[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]piperazine
• CAS: 1001314-76-6
• 化学式: C₁₀H₁₇N₅O₂
• mdl: MFCD11645202
• 分子量: 239.277
• InChiKey: KCCHYZPWMNSOKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  tert-butyl 4-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperazine-1-carboxylate 在 三氟乙酸 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 3.0h， 以31%的产率得到1-(2-(2-甲基-5-硝基-1H-咪唑-1-基)乙基)哌嗪
  参考文献：
  名称：

  WO2008/8480

  摘要：

  公开号：

文献信息

• Nitroheteroaryl-containing rifamycin derivatives
  申请人：Ding Charles Z.

  公开号：US20080139577A1

  公开（公告）日：2008-06-12

  Substituted rifamycin derivatives in which a nitroimidazole, nitrothiazole or nitrofuran pharmacophore is covalently bonded to a rifamycin, methods of using the rifamycin derivatives, and pharmaceutical compositions containing the rifamycin derivatives are disclosed. Methods of synthesizing these substituted rifamycin derivatives are also disclosed. The rifamycin derivatives possess antibacterial activity, and are effective against a number of human and veterinary pathogens in the treatment of bacterial diseases.

  本发明公开了替代利福霉素衍生物，其中硝基咪唑、硝基噻唑或硝基呋喃药效团与利福霉素共价键合，公开了使用该利福霉素衍生物的方法以及含有该利福霉素衍生物的制药组合物。还公开了合成这些替代利福霉素衍生物的方法。该利福霉素衍生物具有抗菌活性，并且在治疗细菌性疾病中对许多人类和兽医病原体有效。
• [EN] DUAL ACTION CARBONIC ANHYDRASE INHIBITORS<br/>[FR] INHIBITEURS D'ANHYDRSASE CARBONIQUE À DOUBLE ACTION
  申请人：STICHTING MAASTRICHT RADIATION ONCOLOGY MAASTRO CLINIC

  公开号：WO2015025283A3

  公开（公告）日：2015-07-23
• QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY
  申请人：Byk Gulden Lomberg Chemische Fabrik GmbH

  公开号：EP1086094A1

  公开（公告）日：2001-03-28
• PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA
  申请人：Byk Gulden Lomberg Chemische Fabrik GmbH

  公开号：EP1091957A1

  公开（公告）日：2001-04-18
• US6162809A
  申请人：——

  公开号：US6162809A

  公开（公告）日：2000-12-19