N,N'-bis(phenylcarbamothioyl)benzene-1,3-dicarboxamide | 70110-41-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-bis(phenylcarbamothioyl)benzene-1,3-dicarboxamide
• 英文别名: 1-N,3-N-bis(phenylcarbamothioyl)benzene-1,3-dicarboxamide
• CAS: 70110-41-7
• 化学式: C₂₂H₁₈N₄O₂S₂
• 分子量: 434.543
• InChiKey: WEDKGXJSANDLHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间苯二甲酰氯 以 丙酮 为溶剂， 反应 8.0h， 生成 N,N'-bis(phenylcarbamothioyl)benzene-1,3-dicarboxamide
  参考文献：
  名称：

  含双硫脲的芳基和氨基酸侧链及其抗菌活性

  摘要：

  摘要 胺类分别与 3-乙酰苯甲酰异硫氰酸酯和 4-乙酰苯甲酰异硫氰酸酯反应，成功合成了一系列对称的 1,3-双硫脲 1a-e 和 1,4-双硫脲衍生物 2a-e。所有合成的化合物均通过 FT-IR 光谱和 1H 和 13C NMR 光谱表征。使用比浊法使用革兰氏阴性菌（大肠杆菌 ATCC 8739）通过比浊法筛选化合物的抗菌活性。新合成的带有芳基侧链的双硫脲衍生物对大肠杆菌表现出良好的抗菌活性。讨论了合成化合物的分子结构对抗菌活性的影响。图形概要

  DOI：

  10.1080/10426507.2013.858250

文献信息

• Efficient synthesis and biological evaluation of 1,3-benzenedicarbonyl dithioureas
  作者：Hao Peng、Yongju Liang、Le Chen、Liwu Fu、Haiqin Wang、Hongwu He

  DOI：10.1016/j.bmcl.2010.12.130

  日期：2011.2

  The synthesis and biological activity of 1,3-benzenedicarbonyl dithioureas are described. Bioassay results indicated that these compounds exhibited cytotoxicity against various cancer cells. For example, compounds 4a showed the best inhibition activities against KB and CNE2 with IC50 10.72 and 9.91 mu M, respectively. (c) 2010 Elsevier Ltd. All rights reserved.
• Synthesis and Anion Recognition of Molecular Tweezers Receptors Based on Acyl-Thiourea
  作者：Tai-Bao Wei、Wei Wei、Cheng Cao、You-Ming Zhang

  DOI：10.1080/10426500701613154

  日期：2008.4.18

  Three title compounds were designed and synthesized in high yields as novel and simple anion receptors. They had a higher selectivity for F(-) over AcO(-). The binding properties for anions of the receptors were examined by UV-Vis and (1)H NMR spectroscopy. The spectrographic data indicate that a 1:1 stoichiometry complex is formed between the receptors and the anions through hydrogen bonding interactions in DMSO solution. In addition, these molecular tweezers receptors have more binding points of anions, larger association constant, and better recognition ability. They can be used as better recognition receptors for F(-) and CH(3)COO(-).
• Wei, Tai-Bao; Wei, Wei; Cao, Cheng, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2007, vol. 46, # 6, p. 1028 - 1032
  作者：Wei, Tai-Bao、Wei, Wei、Cao, Cheng、Zhang, You-Ming

  DOI：——

  日期：——
• Bis-Thiourea Bearing Aryl and Amino Acids Side Chains and Their Antibacterial Activities
  作者：Wan Sharifatun Handayani Wan Zullkiplee、Ainaa Nadiah Abd Halim、Zainab Ngaini、Maya Asyikin Mohd Ariff、Hasnain Hussain

  DOI：10.1080/10426507.2013.858250

  日期：2014.6.3

  were screened for their antibacterial activity by turbidimetric method using gram-negative bacteria (E. coli ATCC 8739) using turbidimetric method. The newly synthesized bis-thiourea derivatives bearing aryl side chains showed good antibacterial activity against E. coli. The effect of the molecular structure of the synthesized compounds on the antibacterial activity is discussed. GRAPHICAL ABSTRACT

  摘要 胺类分别与 3-乙酰苯甲酰异硫氰酸酯和 4-乙酰苯甲酰异硫氰酸酯反应，成功合成了一系列对称的 1,3-双硫脲 1a-e 和 1,4-双硫脲衍生物 2a-e。所有合成的化合物均通过 FT-IR 光谱和 1H 和 13C NMR 光谱表征。使用比浊法使用革兰氏阴性菌（大肠杆菌 ATCC 8739）通过比浊法筛选化合物的抗菌活性。新合成的带有芳基侧链的双硫脲衍生物对大肠杆菌表现出良好的抗菌活性。讨论了合成化合物的分子结构对抗菌活性的影响。图形概要