N-[5-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-2-pyridyl]-4-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]benzamide | 1042907-05-0

• 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: N-[5-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-2-pyridyl]-4-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]benzamide
• 英文别名: N-[5-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]pyridin-2-yl]-4-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]benzamide
• CAS: 1042907-05-0
• 化学式: C₃₆H₃₆F₂N₆O₄
• 分子量: 654.716
• InChiKey: ORHJMONBJOVDSX-NPOXMTQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  顺式-3,5-二甲基吗啉 、 4-(chloromethyl)-N-[5-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-2-pyridyl]benzamide 以 乙腈 为溶剂， 生成 N-[5-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-2-pyridyl]-4-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]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

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.