nitrophenylpiperazine dithiocarbamate potassium salt | 588691-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: nitrophenylpiperazine dithiocarbamate potassium salt
• 英文别名: potassium;4-(4-nitrophenyl)piperazine-1-carbodithioate
• CAS: 588691-88-7
• 化学式: C₁₁H₁₂N₃O₂S₂*K
• 分子量: 321.465
• InChiKey: NVACFCBDRZKHAZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.45
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  85.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  zinc(II) nitrate 、 nitrophenylpiperazine dithiocarbamate potassium salt 以84%的产率得到ZINC;4-(4-nitrophenyl)piperazine-1-carbodithioate
  参考文献：
  名称：

  Metal Complexes of Phenylpiperazine‐Based Dithiocarbamate Ligands. Synthesis, Characterization, Spectroscopic, Thermal, and Antimicrobial Activity Studies

  摘要：

  Potassium salts of phenylpiperazine (Phpzdtc), fluorophenylpiperazine (F-Phpzdtc) and nitrophenylpiperazine (N-Phpzdtc) dithiocarbamates and their manganese(II), iron(II), cobalt(II), nickel(II), copper(II) and zinc(II) complexes have been synthesized and characterized by elemental analyses, IR, UV-VIS, magnetic moment measurements and thermal analysis techniques. On the basis of experimental data, the dithiocarbamates (dtcs) have been observed to coordinate to the metal ions via both sulphur atoms of the -NCS2 group forming metal complexes with a metal to ligand ratio of 1:2. The thermal reactivity and antimicrobial activity of the ligands and their metal complexes were also studied. The decomposition of the metal complexes resulted in the formation of the corresponding metal thiocyanates or cyanates as stable intermediates. Phpzdtc was found to be microbiologically more active than its nitro and fluoro derivatives and biological activity of the dtc ligands either remained unaltered or decreased on complexation with metal ions.

  DOI：

  10.1081/sim-120020326

文献信息

• Novel 1-(2-pyrimidin-2-yl)piperazine derivatives as selective monoamine oxidase (MAO)-A inhibitors
  作者：Betül Kaya、Leyla Yurttaş、Begüm Nurpelin Sağlik、Serkan Levent、Yusuf Özkay、Zafer Asim Kaplancikli

  DOI：10.1080/14756366.2016.1247054

  日期：2017.1.1

  a new series of 2-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl 4-substituted piperazine-1-carbodithioate derivatives (2a-n) were synthesized and screened for their monoamine oxidase A and B inhibitory activity. The structures of compounds were elucidated using spectroscopic methods and some physicochemical properties of new compounds were predicted using Molinspiration and MolSoft programs. Compounds

  在本研究中，合成了一系列新的2- [4-（嘧啶-2-基）哌嗪-1-基] -2-氧代乙基4-取代的哌嗪-1-碳二硫代酸酯衍生物（2a-n），并进行了筛选。它们对单胺氧化酶A和B的抑制活性。使用光谱方法阐明了化合物的结构，并使用Molinspiration和MolSoft程序预测了新化合物的一些理化性质。化合物2- [4-（嘧啶-2-基）哌嗪-1-基] -2-氧代乙基4-（4-硝基苯基）哌嗪-1-碳二硫代酸酯（2j）和2- [4-（嘧啶-2-基） ）哌嗪-1-基] -2-氧代乙基4-苯甲酰基哌嗪-1-碳二硫代酸酯（2m）表现出选择性的MAO-A抑制活性，IC50分别为23.10，24.14 µM。根据基于Lipinski's Fule 5的计算机模拟数据，发现了一些生物学结果。