6-(4-hydroxy-2-methyl-phenyl)-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2H)-one | 1456819-48-9

• 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: 6-(4-hydroxy-2-methyl-phenyl)-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2H)-one
• 英文别名: 6-(4-Hydroxy-2-methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one；6-(4-hydroxy-2-methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one
• CAS: 1456819-48-9
• 化学式: C₁₈H₁₈N₂O₄S
• 分子量: 358.418
• InChiKey: CIAVCYYNHAFASF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  95.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  间甲酚 在 aluminum (III) chloride 作用下， 以 乙醇 为溶剂， 反应 6.5h， 生成 6-(4-hydroxy-2-methyl-phenyl)-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2H)-one
  参考文献：
  名称：

  Synthesis, antiproliferative and anti-inflammatory activities of some novel 6-aryl-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2H)-ones

  摘要：

  Sixteen new 6-aryl-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2H)-ones (2a-p) were synthesized and tested for in vitro anticancer and in vivo anti-inflammatory activities. Eleven (2b, 2d, 2e-j and 2m-p) of the obtained compounds were screened for their antiproliferative activity towards 60 human cancer cell lines by the National Cancer Institute (USA). Compound 2f showed remarkable activity with GI(50) less than 1 mu M on 36 human tumor cell lines and has been referred to Biological Evaluation Committee (NCI) for advance study. Compound 2g also displayed promising antiproliferative activity against 20 different cell lines with GI(50) less than 1 mu M. Compounds 2k and 2n were found to have a comparable anti-inflammatory activity to that of standard drug etoricoxib in carrageenan-induced rat hind paw edema model at 5 h. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.06.050

文献信息

• Synthesis, antiproliferative and anti-inflammatory activities of some novel 6-aryl-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2H)-ones
  作者：Syed Ovais、Kalim Javed、Shafiya Yaseen、Rafia Bashir、Pooja Rathore、Raed Yaseen、Alhamzah D. Hameed、Mohammad Samim

  DOI：10.1016/j.ejmech.2013.06.050

  日期：2013.9

  Sixteen new 6-aryl-2-(p-(methanesulfonyl)phenyl)-4,5-dihydropyridazi-3(2H)-ones (2a-p) were synthesized and tested for in vitro anticancer and in vivo anti-inflammatory activities. Eleven (2b, 2d, 2e-j and 2m-p) of the obtained compounds were screened for their antiproliferative activity towards 60 human cancer cell lines by the National Cancer Institute (USA). Compound 2f showed remarkable activity with GI(50) less than 1 mu M on 36 human tumor cell lines and has been referred to Biological Evaluation Committee (NCI) for advance study. Compound 2g also displayed promising antiproliferative activity against 20 different cell lines with GI(50) less than 1 mu M. Compounds 2k and 2n were found to have a comparable anti-inflammatory activity to that of standard drug etoricoxib in carrageenan-induced rat hind paw edema model at 5 h. (C) 2013 Elsevier Masson SAS. All rights reserved.