1-[4-(6-Amino-3-pyridyl)phenoxy]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol | 1042906-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-[4-(6-Amino-3-pyridyl)phenoxy]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
• 英文别名: 1-[4-(6-aminopyridin-3-yl)phenoxy]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
• CAS: 1042906-91-1
• 化学式: C₂₂H₁₉F₂N₅O₂
• 分子量: 423.422
• InChiKey: STEIVTMNAZJBGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  99.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-氯甲基苯甲酰氯 、 1-[4-(6-Amino-3-pyridyl)phenoxy]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol 在 吡啶 作用下， 生成 4-(chloromethyl)-N-[5-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-2-pyridyl]benzamide
  参考文献：
  名称：

  Synthesis and SAR studies of biaryloxy-substituted triazoles as antifungal agents

  摘要：

  A series of 1-(substituted biaryloxy)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl) propan-2-ol were synthesized and their antifungal activities were evaluated against eight human pathogenic fungi in vitro. Seventeen compounds showed activity 4-to 64-fold higher than voriconazole against Candida albicans. SAR clearly suggested that introduction of a biaryloxy side chain greatly enhanced the antifungal activity of triazole analogs against Candida species. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.056
• 作为产物：
  描述：

  4-(6-氨基吡啶-3-基)苯酚 、 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole methanesulfonate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以47%的产率得到1-[4-(6-Amino-3-pyridyl)phenoxy]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
  参考文献：
  名称：

  Synthesis and SAR studies of biaryloxy-substituted triazoles as antifungal agents

  摘要：

  A series of 1-(substituted biaryloxy)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl) propan-2-ol were synthesized and their antifungal activities were evaluated against eight human pathogenic fungi in vitro. Seventeen compounds showed activity 4-to 64-fold higher than voriconazole against Candida albicans. SAR clearly suggested that introduction of a biaryloxy side chain greatly enhanced the antifungal activity of triazole analogs against Candida species. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.056

文献信息

• Synthesis and SAR studies of biaryloxy-substituted triazoles as antifungal agents
  作者：Ping Liu、Shaolong Zhu、Peng Li、Weijie Xie、Yongsheng Jin、Qingyan Sun、Qiuye Wu、Peng Sun、Yingjun Zhang、Xiaohong Yang、Yuanying Jiang、Dazhi Zhang

  DOI：10.1016/j.bmcl.2008.04.056

  日期：2008.6

  A series of 1-(substituted biaryloxy)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl) propan-2-ol were synthesized and their antifungal activities were evaluated against eight human pathogenic fungi in vitro. Seventeen compounds showed activity 4-to 64-fold higher than voriconazole against Candida albicans. SAR clearly suggested that introduction of a biaryloxy side chain greatly enhanced the antifungal activity of triazole analogs against Candida species. (C) 2008 Elsevier Ltd. All rights reserved.