2-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one | 1366267-99-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
• 英文别名: 2-[3-(4-Fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
• CAS: 1366267-99-3
• 化学式: C₁₉H₁₆FN₃O₂S
• 分子量: 369.419
• InChiKey: CVXCGOOTIVLTGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  79.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one 、 4-氯苯甲醛 在 sodium acetate 、 溶剂黄146 作用下， 反应 5.0h， 生成
  参考文献：
  名称：

  Novel 2-(5-Aryl-4,5-Dihydropyrazol-1-yl)thiazol-4-One as EGFR Inhibitors: Synthesis, Biological Assessment and Molecular Docking Insights

  摘要：

  DOI：

  10.2147/dddt.s356988
• 作为产物：
  描述：

  对氟苯甲醛 在 sodium acetate 、 溶剂黄146 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 生成 2-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
  参考文献：
  名称：

  Development of novel isatin thiazolyl-pyrazoline hybrids as promising antimicrobials in MDR pathogens

  摘要：

  作为对 MDR 病原体有希望的抗菌剂，研究人员开发了两个新系列的异汀噻唑基吡唑啉共轭物。化合物 9f 和 10h 对测试的 MDR 菌株最有效。

  DOI：

  10.1039/d2ra04385h

文献信息

• Design, synthesis and biological evaluation of pyrazolyl-thiazolinone derivatives as potential EGFR and HER-2 kinase inhibitors
  作者：Ke-Ming Qiu、Hai-Hong Wang、Li-Ming Wang、Yin Luo、Xian-Hui Yang、Xiao-Ming Wang、Hai-Liang Zhu

  DOI：10.1016/j.bmc.2012.01.051

  日期：2012.3

  A series of pyrazolyl-thiazolinone derivatives (E1-E36) have been designed and synthesized and their biological activities were also evaluated as potential EGFR and HER-2 kinase inhibitors. Thirty-four of the 36 compounds were reported for the first time. Among them, compound 2-(5-(4-bromophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one (E28) displayed the most potent inhibitory activity (IC50 = 0.24 mu M for EGFR and IC50 = 1.07 mu M for HER-2). Antiproliferative assay results indicated that compound E28 owned high antiproliferative activity against MCF-7, B16-F10 and HCT-116 in vitro, with IC50 value of 0.30, 0.54, and 0.70 mu M, respectively. Docking simulation was further performed to position compound E28 into the EGFR active site to determine the probable binding model. Based on the preliminary results, compound E28 with potent inhibitory activity in tumor growth would be a potential anticancer agent. (C) 2012 Elsevier Ltd. All rights reserved.
• Novel 2-(5-Aryl-4,5-Dihydropyrazol-1-yl)thiazol-4-One as EGFR Inhibitors: Synthesis, Biological Assessment and Molecular Docking Insights
  作者：Tarfah Al-Warhi、Ahmed M El Kerdawy、Mohamed A Said、Amgad Albohy、Zainab M Elsayed、Nada Aljaeed、Eslam B Elkaeed、Wagdy M Eldehna、Hatem A Abdel-Aziz、Miral A Abdelmoaz

  DOI：10.2147/dddt.s356988

  日期：——
• Development of novel isatin thiazolyl-pyrazoline hybrids as promising antimicrobials in MDR pathogens
  作者：Tarfah Al-Warhi、Diaaeldin M. Elimam、Zainab M. Elsayed、Marwa M. Abdel-Aziz、Raed M. Maklad、Ahmed A. Al-Karmalawy、Kamyar Afarinkia、Mohammed A. S. Abourehab、Hatem A. Abdel-Aziz、Wagdy M. Eldehna

  DOI：10.1039/d2ra04385h

  日期：——

  As promising antimicrobials against MDR pathogens, two novel series of isatin thiazolyl-pyrazoline conjugates were developed. Compounds 9f and 10h were the most effective against the tested MDR strains.

  作为对 MDR 病原体有希望的抗菌剂，研究人员开发了两个新系列的异汀噻唑基吡唑啉共轭物。化合物 9f 和 10h 对测试的 MDR 菌株最有效。