1-(2-Hydroxy-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone | 1005342-41-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-Hydroxy-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
• CAS: 1005342-41-5
• 化学式: C₁₁H₁₁N₃O₃
• 分子量: 233.227
• InChiKey: DCBFRNCVFXMPSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(2-hydroxy-4-methoxyphenyl)ethanone;bromide 在 盐酸 、 sodium nitrite 作用下， 反应 0.75h， 以97%的产率得到1-(2-Hydroxy-4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
  参考文献：
  名称：

  2-Hydroxyphenacyl azoles and related azolium derivatives as antifungal agents

  摘要：

  2-Hydroxyphenacyl azole and 2-hydroxyphenacyl azolium compounds have been described as a new class of azole antifungals. Most target compounds showed significant in vitro antifungal activities against tested fungi (Candida albicans, Saccharomyces cerevisiae, Aspergillus niger, and Microsporum gypseum) with low MICs values included in the range of 0.25-32 mu g/mL comparable to reference drug fluconazole. The most active compounds were also assessed for their cytotoxicity using MTT colorimetric assay on normal mouse fibroblast (NIH/3T3) cells. The results of antifungal activity and toxicity tests indicated that these compounds display antifungal activity at non-cytotoxic concentrations. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.111

文献信息

• 2-Hydroxyphenacyl azoles and related azolium derivatives as antifungal agents
  作者：Saeed Emami、Alireza Foroumadi、Mehraban Falahati、Ensieh Lotfali、Saeed Rajabalian、Soltan-Ahmed Ebrahimi、Shirin Farahyar、Abbas Shafiee

  DOI：10.1016/j.bmcl.2007.10.111

  日期：2008.1

  2-Hydroxyphenacyl azole and 2-hydroxyphenacyl azolium compounds have been described as a new class of azole antifungals. Most target compounds showed significant in vitro antifungal activities against tested fungi (Candida albicans, Saccharomyces cerevisiae, Aspergillus niger, and Microsporum gypseum) with low MICs values included in the range of 0.25-32 mu g/mL comparable to reference drug fluconazole. The most active compounds were also assessed for their cytotoxicity using MTT colorimetric assay on normal mouse fibroblast (NIH/3T3) cells. The results of antifungal activity and toxicity tests indicated that these compounds display antifungal activity at non-cytotoxic concentrations. (C) 2007 Elsevier Ltd. All rights reserved.