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

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: (2R,3R)-2-(2,4-difluorophenyl)-3-(1H-indazol-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
• 英文别名: (2R,3R)-2-(2,4-difluorophenyl)-3-indazol-1-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
• 化学式: C₁₉H₁₇F₂N₅O
• 分子量: 369.374
• InChiKey: YKWWOKMXGYYNMA-BFUOFWGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  68.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2R,3R)-2-(2,4-二氟苯基)-1-(1H-1,2,4-三唑-1-基)丁烷-2,3-二醇 在 sodium methylate 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2R,3R)-2-(2,4-difluorophenyl)-3-(1H-indazol-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
  参考文献：
  名称：

  Discovery of novel indazole-linked triazoles as antifungal agents

  摘要：

  The in vitro and in vivo activities of a series of (2R, 3R)-2-(2,4-difluorophenyl)-3-(substituted indazol-1-yl)-1-(1H-1,2,4-triazol- 1-yl)butan-2-ol as potential antifungal agents are described. In particular, the analog 12j having 5-bromo substitution on the indazole ring exhibited significant antifungal activity against a variety of fungal cultures (Candida spp. and Aspergillus spp.). In addition, oral administration of 12j showed its excellent efficacy against Candida albicans in a murine infection model and the significantly improved survival rates of the infected mice. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.074

文献信息

• Antifungal Triazole Derivatives
  申请人：Park Joon Seok

  公开号：US20080194661A1

  公开（公告）日：2008-08-14

  Disclosed herein are antifungal triazole derivatives or pharmaceutically acceptable salts thereof, a preparation method thereof, and a pharmaceutical composition comprising the same.

  本文揭示了抗真菌三唑衍生物或其药用盐，其制备方法，以及包含它们的药物组合物。
• WO2006/109933
  申请人：——

  公开号：——

  公开（公告）日：——
• US7812045B2
  申请人：——

  公开号：US7812045B2

  公开（公告）日：2010-10-12
• Discovery of novel indazole-linked triazoles as antifungal agents
  作者：Joon Seok Park、Kyung A Yu、Tae Hee Kang、Sunghoon Kim、Young-Ger Suh

  DOI：10.1016/j.bmcl.2007.03.074

  日期：2007.6

  The in vitro and in vivo activities of a series of (2R, 3R)-2-(2,4-difluorophenyl)-3-(substituted indazol-1-yl)-1-(1H-1,2,4-triazol- 1-yl)butan-2-ol as potential antifungal agents are described. In particular, the analog 12j having 5-bromo substitution on the indazole ring exhibited significant antifungal activity against a variety of fungal cultures (Candida spp. and Aspergillus spp.). In addition, oral administration of 12j showed its excellent efficacy against Candida albicans in a murine infection model and the significantly improved survival rates of the infected mice. (c) 2007 Elsevier Ltd. All rights reserved.