1-(4-methoxyphenyl)-2-(1-phenethyl-1H-1,2,3-triazol-4-yl)ethane-1,2-dione | 1489239-42-0

• 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-(4-methoxyphenyl)-2-(1-phenethyl-1H-1,2,3-triazol-4-yl)ethane-1,2-dione
• 英文别名: 1-(4-Methoxyphenyl)-2-(1-phenethyltriazol-4-yl)ethane-1,2-dione；1-(4-methoxyphenyl)-2-[1-(2-phenylethyl)triazol-4-yl]ethane-1,2-dione
• CAS: 1489239-42-0
• 化学式: C₁₉H₁₇N₃O₃
• 分子量: 335.362
• InChiKey: BZGRBQNPNHRYTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  74.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-methoxyphenyl)-1-(1-phenethyl-1H-1,2,3-triazol-4-yl)ethanone 在 copper(l) iodide 、 新铜试剂 作用下， 以 乙腈 为溶剂， 以49%的产率得到1-(4-methoxyphenyl)-2-(1-phenethyl-1H-1,2,3-triazol-4-yl)ethane-1,2-dione
  参考文献：
  名称：

  Synthesis and evaluation of α-ketotriazoles and α,β-diketotriazoles as inhibitors of Mycobacterium tuberculosis

  摘要：

  Two series of alpha-ketotriazole and alpha,beta-diketotriazole derivatives were synthesized and evaluated for antitubercular and cytotoxic activities. Among them, two alpha,beta-diketotriazole compounds, 6b and 9b, exhibited good activities (minimum inhibitory concentration = 7.6 mu M and 6.9 mu M, respectively) on Mycobacterium tuberculosis and multi-drug resistant M. tuberculosis strains and presented no cytotoxicity (IC50 > 50 mu M) on colorectal cancer HCT116 and normal fibroblast GM637H cell lines. These two compounds represent promising leads for further optimization. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.06.042

文献信息

• Synthesis and evaluation of α-ketotriazoles and α,β-diketotriazoles as inhibitors of Mycobacterium tuberculosis
  作者：Christophe Menendez、Frédéric Rodriguez、Ana Luisa de Jesus Lopes Ribeiro、Francesca Zara、Céline Frongia、Valérie Lobjois、Nathalie Saffon、Maria Rosalia Pasca、Christian Lherbet、Michel Baltas

  DOI：10.1016/j.ejmech.2013.06.042

  日期：2013.11

  Two series of alpha-ketotriazole and alpha,beta-diketotriazole derivatives were synthesized and evaluated for antitubercular and cytotoxic activities. Among them, two alpha,beta-diketotriazole compounds, 6b and 9b, exhibited good activities (minimum inhibitory concentration = 7.6 mu M and 6.9 mu M, respectively) on Mycobacterium tuberculosis and multi-drug resistant M. tuberculosis strains and presented no cytotoxicity (IC50 > 50 mu M) on colorectal cancer HCT116 and normal fibroblast GM637H cell lines. These two compounds represent promising leads for further optimization. (C) 2013 Elsevier Masson SAS. All rights reserved.