1-[5-(4-Chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone | 132577-33-4

• 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: 1-[5-(4-Chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 132577-33-4
• 化学式: C₁₇H₁₄ClFN₂O
• 分子量: 316.762
• InChiKey: ZFECNIAXTUOWCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对氟苯甲醛 在 sodium hydroxide 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 1-[5-(4-Chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
  参考文献：
  名称：

  Safak; Tayhan; Sarac, Journal of the Indian Chemical Society, 1990, vol. 67, # 7, p. 571 - 574

  摘要：

  DOI：

文献信息

• Design, synthesis, and structure–activity relationships of pyrazole derivatives as potential FabH inhibitors
  作者：Peng-Cheng Lv、Juan Sun、Yin Luo、Ying Yang、Hai-Liang Zhu

  DOI：10.1016/j.bmcl.2010.05.105

  日期：2010.8

  Fatty acid biosynthesis is essential for bacterial survival. FabH, beta-ketoacyl-acyl carrier protein (ACP) synthase III, is a particularly attractive target, since it is central to the initiation of fatty acid biosynthesis and is highly conserved among Gram-positive and - \negative bacteria. Fifty-six 1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole derivatives were synthesized and developed as potent inhibitors of FabH. This inhibitor class demonstrates strong antibacterial activity. Escherichia coli FabH inhibitory assay and docking simulation indicated that the compounds 1-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl) ethanone (12) and 1-(5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl) ethanone (13) were potent inhibitors of E. coli FabH. (C) 2010 Elsevier Ltd. All rights reserved.
• SAFAK, CIHAT;TAYHAN, AYLA;SARAC, SELMA;YULUG, NURAN, J. INDIAN CHEM. SOC., 67,(1990) N, C. 571-574
  作者：SAFAK, CIHAT、TAYHAN, AYLA、SARAC, SELMA、YULUG, NURAN

  DOI：——

  日期：——
• Safak; Tayhan; Sarac, Journal of the Indian Chemical Society, 1990, vol. 67, # 7, p. 571 - 574
  作者：Safak、Tayhan、Sarac、Yulug

  DOI：——

  日期：——