| 1351937-95-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1351937-95-5
• 化学式: C₁₇H₁₅FN₆O₂S₂
• 分子量: 418.476
• InChiKey: NCXXFMSETIAFTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  128.39
• 氢给体数：
  3.0
• 氢受体数：
  6.0

文献信息

• Synthesis and biological evaluation of some pyrazole derivatives as anti-inflammatory–antibacterial agents
  作者：Pawan Kumar、Navneet Chandak、Pawan Kaushik、Chetan Sharma、Dhirender Kaushik、Kamal R. Aneja、Pawan K. Sharma

  DOI：10.1007/s00044-011-9853-4

  日期：2012.11

  The present article describes the synthesis of two novel series of thiosemicarbazones 3 and thiazolylhydrazinomethylidenepyrazoles 5. All the newly synthesized target compounds (3a–e and 5a–o) were screened for their in vivo anti-inflammatory (AI) activity using carrageenan-induced rat paw edema assay and in vitro antibacterial activity against two Gram-positive and two Gram-negative bacteria. Eight

  本文介绍了两个新系列的thiosemicarbazones 3和thiazolylhydrazinomethylidenepyrazoles 5的合成。使用角叉菜胶诱导的大鼠爪水肿测定法筛选了所有新合成的目标化合物（3a - e和5a - o）的体内抗炎（AI）活性以及针对两种革兰氏阳性和两种革兰氏阴性的体外抗菌活性。阴性细菌。八个化合物（3b - d，5b，5e，5f，5i和5o）在角叉菜胶注射后3和4 h表现出始终如一的优异AI活性（≥70％抑制作用），与标准药物消炎痛（78％）相当，而其余十二种化合物显示出显着的活性，并在抑制后显示57–75％ 3 h和4 h后抑制56-63％。所有测试的化合物均显示出中等的抗菌性能。
• Dual evaluation of some novel 2-amino-substituted coumarinylthiazoles as anti-inflammatory–antimicrobial agents and their docking studies with COX-1/COX-2 active sites
  作者：Navneet Chandak、Pawan Kumar、Pawan Kaushik、Parul Varshney、Chetan Sharma、Dhirender Kaushik、Sudha Jain、Kamal R. Aneja、Pawan K. Sharma

  DOI：10.3109/14756366.2013.805755

  日期：2014.8.1

  Synthesis of total eighteen 2-amino-substituted 4-coumarinylthiazoles including sixteen new compounds (3a-o and 5b) bearing the benzenesulfonamide moiety is described in the present report. All the synthesized target compounds were examined for their in vivo anti-inflammatory (AI) activity and in vitro antimicrobial activity. Results revealed that six compounds (3d, 3f, 3g, 3h, 3j and 3n) exhibited pronounced anti-inflammatory activity comparable to the standard drug indomethacin. AI results were further confirmed by the docking studies of the most active (3n) and the least active compound (3a) with COX-1 and COX-2 active sites. In addition, most of the compounds exhibited moderate antimicrobial activity against Gram-positive bacteria as well as fungal yeast, S. cervisiae. Comparison between 3 and 5 indicated that incorporation of additional substituted pyrazole nucleus into the scaffold significantly enhanced AI activity.