5-(2-((1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methoxybenzoyl)-1-o-tolylpyridin-2(1H)-one | 1456809-48-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(2-((1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methoxybenzoyl)-1-o-tolylpyridin-2(1H)-one
• 英文别名: 5-[2-[[1-[(2-Fluorophenyl)methyl]triazol-4-yl]methoxy]-4-methoxybenzoyl]-1-(2-methylphenyl)pyridin-2-one；5-[2-[[1-[(2-fluorophenyl)methyl]triazol-4-yl]methoxy]-4-methoxybenzoyl]-1-(2-methylphenyl)pyridin-2-one
• CAS: 1456809-48-5
• 化学式: C₃₀H₂₅FN₄O₄
• 分子量: 524.551
• InChiKey: BAWKNONFMBTHGX-UHFFFAOYSA-N

物化性质

• 熔点：
  123-124 °C
• 沸点：
  730.1±70.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  86.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-(2-hydroxy-4-methoxybenzoyl)-1-o-tolylphenylpyridin-2(1H)-one 在 sodium azide 、 copper(ll) sulfate pentahydrate 、 potassium carbonate 、 sodium ascorbate 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 8.5h， 生成 5-(2-((1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methoxybenzoyl)-1-o-tolylpyridin-2(1H)-one
  参考文献：
  名称：

  Design and synthesis of novel 2′-hydroxy group substituted 2-pyridone derivatives as anticancer agents

  摘要：

  We have synthesized a series of novel 2-pyridone derivatives with 1,2,3-triazole and evaluated their antitumor activities in vitro. The bioassays showed that the majority of the resultant compounds exerted inhibitory effects on six human cancer cell lines to various extents. In particular, compound 10k showed the best anti-tumor activities (IC50 values of A549, HeLa and SW480 cancer cell lines were 0.86 +/- 0.17 mu M, 0.54 +/- 0.23 mu M and 0.21 +/- 0.13 mu M, respectively). (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.06.046

文献信息

• Design and synthesis of novel 2′-hydroxy group substituted 2-pyridone derivatives as anticancer agents
  作者：Zhiliang Lv、Yikai Zhang、Mingfeng Zhang、Huan Chen、Zhenliang Sun、Dongping Geng、Chunjuan Niu、Ke Li

  DOI：10.1016/j.ejmech.2013.06.046

  日期：2013.9

  We have synthesized a series of novel 2-pyridone derivatives with 1,2,3-triazole and evaluated their antitumor activities in vitro. The bioassays showed that the majority of the resultant compounds exerted inhibitory effects on six human cancer cell lines to various extents. In particular, compound 10k showed the best anti-tumor activities (IC50 values of A549, HeLa and SW480 cancer cell lines were 0.86 +/- 0.17 mu M, 0.54 +/- 0.23 mu M and 0.21 +/- 0.13 mu M, respectively). (C) 2013 Elsevier Masson SAS. All rights reserved.