4-((2,4,6-trioxo-tetrahydropyrimidin-5(6H)-ylidene)methylamino)benzenesulfonamide

• 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: 4-((2,4,6-trioxo-tetrahydropyrimidin-5(6H)-ylidene)methylamino)benzenesulfonamide
• 英文别名: 4-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)ylidene)methyl]amino}benzenesulfonamide；N-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-sulfanilic acid amide；N-(2,4,6-Trioxo-tetrahydro-pyrimidin-5-ylidenmethyl)-sulfanilsaeure-amid；4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzenesulfonamide
• 化学式: C₁₁H₁₀N₄O₅S
• 分子量: 310.29
• InChiKey: KXRRPPCIFRIBRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  156
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  磺胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 溶剂黄146 作用下， 生成 4-((2,4,6-trioxo-tetrahydropyrimidin-5(6H)-ylidene)methylamino)benzenesulfonamide
  参考文献：
  名称：

  Ridi; Papini, Gazzetta Chimica Italiana, 1946, vol. 76, p. 376,382

  摘要：

  DOI：

文献信息

• Synthesis and Urease Inhibition Studies of Barbituric and Thiobarbituric Acid Derived Sulphonamides
  作者：A. Rauf、F. Ahmed、A. M. Qureshi、Aziz-ur-Rehman、A. Khan、M. I. Qadir、M. I. Choudhary、Z. H. Chohan、M. H. Youssoufid、T. Ben Haddad

  DOI：10.1002/jccs.201190017

  日期：2011.8

  Various novel barbituric and thiobarbituric acid derived sulphonamides were synthesized in excellent yield via three components single pot reaction; and these were screened for in vitro urease inhibition studies against jack bean urease. The compounds 1‐7 were found to exhibit a low to moderate activity whereas compounds 8‐14 showed a significant activity (88.3‐99.9% inhibition determined at 500 μM

  通过三组分单罐反应以优异的产率合成了各种新颖的巴比妥酸和硫代巴比妥酸衍生的磺酰胺。并筛选了针对杰克豆脲酶的体外脲酶抑制研究。发现化合物1-7表现出较低至中等的活性，而化合物8-14显示出显着的活性（在500μM浓度下测定的抑制率为88.3-99.9％）。通过1 H-NMR，13 C-NMR，质谱和元素分析数据确认了合成化合物的结构。
• Synthesis and carbonic anhydrase inhibitory properties of 1,3-dicarbonyl derivatives of methylaminobenzene-sulfonamide
  作者：Tuna Demirci、Mustafa Arslan、Çiğdem Bilen、Dudu Demir、Nahit Gençer、Oktay Arslan

  DOI：10.3109/14756366.2012.757603

  日期：2014.2.1

  1,3-Dicarbonyl derivatives of methylaminobenzene-sulfonamide were synthesized and their inhibitory effects on the activity of purified human carbonic anhydrase (hCA) I and hCA II were evaluated. hCA I and hCA II from human erythrocytes were purified by a simple one-step procedure by using Sepharose 4B-L-tyrosine-sulfanilamide affinity column. Our results show that the synthesized compounds inhibited the activity of carbonic anhydrase (CA) I and CA II. Among them, 2b and 2e were found to be the most active (IC50 = 2.12 and 2.52 mu M) for hCA I and hCA II, respectively.