1-(p-Tolyl)-1-(2-carboxyethyl)-thioharnstoff | 24371-69-5

• 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: 1-(p-Tolyl)-1-(2-carboxyethyl)-thioharnstoff
• 英文别名: 3-(1-(p-tolyl)thioureido)propanoic acid
• CAS: 24371-69-5
• 化学式: C₁₁H₁₄N₂O₂S
• 分子量: 238.31
• InChiKey: CBTJCWYDOADIHC-UHFFFAOYSA-N

物化性质

• 沸点：
  443.7±55.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  66.56
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(p-Tolyl)-1-(2-carboxyethyl)-thioharnstoff 以 丙酮 为溶剂， 反应 16.16h， 生成 3-{[5-[[2-[(2-carboxyethyl)-p-tolylamino]-4-(4-fluorophenyl)thiazol-5-yl](4-chlorophenyl)methyl]-4-(4-chlorophenyl)thiazol-2-yl]-p-tolylamino}propanoic acid
  参考文献：
  名称：

  Synthesis, Transformation of 3-[(4-Arylthiazol-2-yl)(p-tolyl)amino]propanoic Acids, Bis(thiazol-5-yl)phenyl-, Bis(thiazol-5-yl)methane Derivatives, and Their Antimicrobial Activity

  摘要：

  Bis(thiazol-5-yl)phenyl- and bis(thiazol-5-yl)methanes were synthesized by the reaction of 2,4-disubstituted thiazoles with aromatic aldehydes or formaldehyde. In addition, modification of the carboxyl group of the molecule was carried out. The reactions afforded compounds bearing various heterocyclic fragments. All the synthesized compounds were tested for their effect on Escherichia coli, Staphylococcus aureus and Mycobacterium luteum bacteria and Aspergillus niger and Candida tenuis fungi strains. Some of them exhibited antibacterial activity against test-culture Mycobacterium luteum.

  DOI：

  10.3987/com-17-13833

文献信息

• Synthesis, Characterization and Bioassay of Novel Substituted 1-(3-(1,3-Thiazol-2-yl)phenyl)-5-oxopyrrolidines
  作者：Birutė Sapijanskaitė-Banevič、Božena Šovkovaja、Rita Vaickelionienė、Jūratė Šiugždaitė、Eglė Mickevičiūtė

  DOI：10.3390/molecules25102433

  日期：——

  scientists both in the field of organic synthesis and bioactivity research due to their high biological activity. In the present study, thiazole ring was obtained by the interaction of 1-(4-(bromoacetyl)phenyl)-5-oxopyrrolidine-3-carboxylic acid with thiocarbamide or benzenecarbothioamide, as well as tioureido acid. A series of substituted 1-(3-(1,3-thiazol-2-yl)phenyl)-5-oxopyrrolidines with pyrrolidinone

  噻唑衍生物因其高生物活性而受到有机合成和生物活性研究领域科学家的关注。在本研究中，噻唑环是通过 1-(4-(溴乙酰) 苯基)-5-氧代吡咯烷-3-羧酸与硫脲或苯碳硫酰胺以及硫脲酸的相互作用获得的。合成了一系列具有吡咯烷酮、噻唑、吡咯、1,2,4-三唑、恶二唑和苯并咪唑杂环片段的取代的1-(3-(1,3-噻唑-2-基)苯基)-5-氧代吡咯烷并对金黄色葡萄球菌、蜡状芽孢杆菌、单核细胞增生李斯特菌和革兰氏阴性铜绿假单胞菌、大肠杆菌和肠炎沙门氏菌的革兰氏阳性菌株的抗菌特性进行了评估。
• Exploring the potential of bis(thiazol-5-yl)phenylmethane derivatives as novel candidates against genetically defined multidrug-resistant Staphylococcus aureus
  作者：Povilas Kavaliauskas、Waldo Acevedo、Andrew Garcia、Ethan Naing、Birute Grybaite、Birute Sapijanskaite-Banevic、Ramune Grigaleviciute、Ruta Petraitiene、Vytautas Mickevicius、Vidmantas Petraitis

  DOI：10.1371/journal.pone.0300380

  日期：——

  crucial to develop novel compounds with promising antimicrobial activity against S. aureus especially those with challenging resistance mechanisms and biofilm formation. Series of bis(thiazol-5-yl)phenylmethane derivatives were evaluated against drug-resistant Gram-positive bacteria. The screening revealed an S. aureus-selective mechanism of bis(thiazol-5-yl)phenylmethane derivatives (MIC 2–64 μg/mL), while

  抗菌素耐药性（AMR）对全球公共卫生构成了令人震惊的挑战。多重耐药菌引起的感染金黄色葡萄球菌（ S 。金黄色葡萄球菌）构成了新出现的全球威胁。因此，开发具有良好抗菌活性的新型化合物至关重要。 S 。金黄色葡萄球菌尤其是那些具有挑战性的耐药机制和生物膜形成的药物。对一系列双(噻唑-5-基)苯基甲烷衍生物进行了针对耐药革兰氏阳性菌的评估。放映揭露了一个S 。金黄色葡萄球菌-双(噻唑-5-基)苯基甲烷衍生物的选择性机制(MIC 2–64 μ g/mL)，而万古霉素抗性的活性显着降低粪肠球菌（麦克风 64 μ克/毫升）（ p< 0.05）。最活跃的苯甲烷基（对甲苯基）衍生物 23a（含有硝基和二甲胺取代基）和萘基衍生物 28b（含有氟和硝基取代基）对细菌表现出强烈的、接近 MIC 的杀菌活性。 S 。金黄色葡萄球菌具有基因定义的耐药表型，例如 MSSA、MRSA 和 VRSA 及其生物膜。这计算机模拟模型显示，最有希望的化合物
• Novel thiazolone derivatives of N-aryl-β-alanines
  作者：M. Stasevych、V. Lubenets、R. Musyanovych、V. Novikov、V. Mickevicius、Z. I. Beresnevicius、K. Rutkauskas

  DOI：10.1007/s10593-011-0874-1

  日期：2011.11