(2R,3R)-2-(2,4-difluorophenyl)-3-hexylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol

• 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: (2R,3R)-2-(2,4-difluorophenyl)-3-hexylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
• 化学式: C₁₈H₂₅F₂N₃O₃S
• 分子量: 401.478
• InChiKey: OGRLFOWFICWPGH-RDTXWAMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  93.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(((2S,3R)-2-(2,4-二氟苯基)-3-甲基环氧乙基-2-基)甲基l)-1H-1,2,4-三唑 在 盐酸 、 sodium tungstate 、 双氧水 、 sodium hydride 作用下， 以 甲醇 为溶剂， 反应 5.67h， 生成 (2R,3R)-2-(2,4-difluorophenyl)-3-hexylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
  参考文献：
  名称：

  Synthesis and antifungal activity of alkylthio and alkylsulfonyl derivatives of SM-8668

  摘要：

  Triazole analogues which contained alkylthio or alkylsulfonyl groups where synthesized as derivatives of antifungal SM-8668 and estimated for their in vitro and in vivo activity. Derivatives having pentylthio, heptylthio or nonylthio groups showed excellent efficacy against both candidiasis and aspergillosis. Introduction of a hydrophilic group at the end of their alkyl chain made their activity stronger. Especially, 5-hydroxypentylthio and 7-hydroxyheptylthio derivatives showed the strongest antifungal activity.

  DOI：

  10.1016/0968-0896(95)00180-8

文献信息

• Synthesis and antifungal activity of alkylthio and alkylsulfonyl derivatives of SM-8668
  作者：Hiroshi Miyauchi、Koichi Kozuki、Tomoharu Tanio、Naohito Ohashi

  DOI：10.1016/0968-0896(95)00180-8

  日期：1996.2

  Triazole analogues which contained alkylthio or alkylsulfonyl groups where synthesized as derivatives of antifungal SM-8668 and estimated for their in vitro and in vivo activity. Derivatives having pentylthio, heptylthio or nonylthio groups showed excellent efficacy against both candidiasis and aspergillosis. Introduction of a hydrophilic group at the end of their alkyl chain made their activity stronger. Especially, 5-hydroxypentylthio and 7-hydroxyheptylthio derivatives showed the strongest antifungal activity.