4-(5-formyl-2-furyl)-benzenesulfonic acid | 68502-11-4

• 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-(5-formyl-2-furyl)-benzenesulfonic acid
• 英文别名: 4-(5-formyl-[2]furyl)-benzenesulfonic acid；4-(5-Formyl-[2]furyl)-benzolsulfonsaeure；4-(5-Formylfuran-2-yl)benzenesulfonic acid
• CAS: 68502-11-4
• 化学式: C₁₁H₈O₅S
• mdl: MFCD03198100
• 分子量: 252.248
• InChiKey: KUJZJDRDSDDLRJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.466±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  4-(5-formyl-2-furyl)-benzenesulfonic acid 在 吡啶 、 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 7.5h， 生成 1-(5-p-sulphophenyl-2-furyl)-2-(2-benzothiazolyl)ethene
  参考文献：
  名称：

  Synthesis and absorption spectral properties of substituted phenylfurylbenzothiazoles and their vinylogues

  摘要：

  A number of substituted 2-(5-aryl-2-furyl)benzothiazoles and their vinylogues were synthesized from corresponding 5-arylfurfurals by convenient methods. The yields of products and their UV/Vis spectroscopic properties are substituent-dependent.

  DOI：

  10.1007/bf00818165
• 作为产物：
  描述：

  糠醛 在 丙酮 作用下， 生成 4-(5-formyl-2-furyl)-benzenesulfonic acid
  参考文献：
  名称：

  Akashi; Oda, Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1950, vol. 53, p. 81

  摘要：

  DOI：

文献信息

• Nalidixic Acid Schiff Bases: Synthesis and Biological Evaluation
  作者：Asif Husain、Munendra M. Varshney、Versha Parcha、Aftab Ahmad、Shah A. Khan

  DOI：10.2174/1570180814666170710160751

  日期：2018.1.3

  bohydrazide 2. The compound 2 was further treated with several furfural aldehydes to furnish the desired Schiff bases (3a-k). The in vitro antibacterial activity of Schiff bases was investigated against four Gram positive and four Gram negative bacterial strains. The newly prepared Schiff bases were also tested for their anthelmintic activity against Pheritima posthuma and Perionyx excavatus. Results:

  背景：寄生虫和原生动物感染引起的发病率和死亡率的上升趋势，尤其是在第三世界国家。耐药微生物病原体使情况进一步恶化。 目的：与取代的糠醛和萘啶酸的1,8-萘啶核有关的抗菌和驱虫活性促使我们合成了一些新的喹诺酮席夫碱，目的是获得有效的抗菌和驱虫剂，从而提高安全性和疗效。 方法：在无水条件下，萘啶酸甲酯1与水合肼反应，设计合成了一系列新的基于1,8萘啶的席夫碱。生成1-乙基-1,4-二氢-7-甲基-4-氧代-1，8-萘啶-3-碳酰肼2。将化合物2进一步用几种糠醛处理以提供所需的席夫碱（3a-k）。研究了席夫碱对四种革兰氏阳性和四种革兰氏阴性细菌菌株的体外抗菌活性。还测试了新制备的席夫碱对蠕虫后腐殖质和Perionyx exavatus的驱虫活性。 结果：所制备化合物的化学结构和身份已通过其光谱数据证实。总体而言，席夫碱（3a-k）表现出良好的抗菌活性，有趣的是，五种化合物显示出比标准药物氨苄青霉
• Docking and PASS-Assisted Evaluation of Furaldehyde Substituted Benzimidazoles as Anthelmintic Agents
  作者：P. Pattanayak、G. P. Mishra

  DOI：10.1134/s106816202302019x

  日期：2023.4

  were synthesized and characterized by physicochemical and spectrophotometric (FTIR, Mass, 1H NMR, and elemental analysis) data. Among the compounds, compounds (Ic) and (Ig) have exhibited excellent anthelmintic activity with a good docking score and acceptable root-mean-square deviation (RMSD).

  摘要 已尝试设计、合成和评估新型化合物 ( Ia – Ih ) 和 ( IIa – IIh ) 以对抗蠕虫病。设计的化合物被合成并通过物理化学和分光光度法（FTIR、质量、1 H NMR 和元素分析）数据进行表征。在这些化合物中，化合物 ( Ic ) 和 ( Ig ) 表现出优异的驱虫活性，具有良好的对接分数和可接受的均方根偏差 (RMSD)。
• Structure−Activity Relationships of Phenyl-Furanyl-Rhodanines as Inhibitors of RNA Polymerase with Antibacterial Activity on Biofilms
  作者：Philippe Villain-Guillot、Maxime Gualtieri、Lionel Bastide、Françoise Roquet、Jean Martinez、Muriel Amblard、Martine Pugniere、Jean-Paul Leonetti

  DOI：10.1021/jm0703183

  日期：2007.8.1

  The dramatic rise of antibiotic-resistant bacteria over the past two decades has stressed the need for completely novel classes of antibacterial agents. Accordingly, recent advances in the study of prokaryotic transcription open new opportunities for such molecules. This paper reports the structure-activity relationships of a series of phenyl-furanyl-rhodanines (PFRs) as antibacterial inhibitors of RNA polymerase (RNAP). The molecules have been evaluated for their ability to inhibit transcription and affect growth of bacteria living in suspension or in a biofilm and for their propensity to interact with serum albumin, a critical parameter for antibacterial drug discovery. The most active of these molecules inhibit Escherichia coli RNAP transcription at concentrations of <= 10 mu M and have promising activities against various Gram-positive pathogens including Staphylococcus epidermidis biofilms, a major cause of nosocomial infection.
• Akashi; Oda, Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1950, vol. 53, p. 81
  作者：Akashi、Oda

  DOI：——

  日期：——
• Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase
  申请人：Yale University

  公开号：US20150272939A1

  公开（公告）日：2015-10-01

  The present invention includes a novel high-throughput screen capable of identifying compounds that inhibit JARID1B demethylase activity or JARID1A demethylase activity. The present invention further includes novel inhibitors of JARID1B demethylase activity and/or JARID1A demethylase activity, and methods using the same.