2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-(2H,4H)-1,2,4-triazol-3-thione | 665023-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-(2H,4H)-1,2,4-triazol-3-thione
• 英文别名: 2-[[1R,2R]-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-(2H,4H)-1,2,4-triazol-3-thione；2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazole-3-thione
• CAS: 665023-47-2
• 化学式: C₂₃H₂₀F₆N₆O₂S
• 分子量: 558.507
• InChiKey: NRGQGTALAXDYBW-JLCFBVMHSA-N

物化性质

• 熔点：
  76.8-84.3 °C
• 沸点：
  664.1±65.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]thiosemicarbazide 、 甲酸 反应 2.0h， 以70%的产率得到2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-(2H,4H)-1,2,4-triazol-3-thione
  参考文献：
  名称：

  [EN] AZOLE DERIVATIVES AS ANTIFUNGAL AGENTS
  [FR] DÉRIVÉS D'AZOLE UTILISÉS COMME AGENTS ANTIFONGIQUES

  摘要：

  本发明涉及化合物的新型唑类衍生物，化学式为（I），作为潜在的抗真菌药物。本发明还涉及含有本发明化合物的药物组合物，以及它们在治疗和/或预防哺乳动物，尤其是人类的真菌感染中的用途。

  公开号：

  WO2004018485A1

文献信息

• [EN] AZOLE DERIVATIVES AS ANTIFUNGAL AGENTS<br/>[FR] DÉRIVÉS D'AZOLE UTILISÉS COMME AGENTS ANTIFONGIQUES
  申请人：RANBAXY LAB LTD

  公开号：WO2004018485A1

  公开（公告）日：2004-03-04

  The present invention relates to novel azole derivatives of Formula (I), as potential antifungal agents. This invention also relates to pharmaceutical compositions containing the compounds of the present invention and their use in treating and / or preventing the fungal infections in mammals, preferably humans.

  本发明涉及化合物的新型唑类衍生物，化学式为（I），作为潜在的抗真菌药物。本发明还涉及含有本发明化合物的药物组合物，以及它们在治疗和/或预防哺乳动物，尤其是人类的真菌感染中的用途。
• Azole derivatives as antifungal agents
  申请人：Salman Mohammad

  公开号：US20060178415A1

  公开（公告）日：2006-08-10

  The present invention relates to novel azole derivatives of Formula I, as potential antifungal agents. This invention also relates to pharmaceutical compositions containing the compounds of the present invention and their use in treating and/or preventing the fungal infections in mammals, preferably humans.

  本发明涉及作为潜在抗真菌剂的式 I 的新型唑衍生物。本发明还涉及含有本发明化合物的药物组合物及其在治疗和/或预防哺乳动物（最好是人类）真菌感染中的用途。
• AZOLE DERIVATIVES AS ANTIFUNGAL AGENTS
  申请人：RANBAXY LABORATORIES, LTD.

  公开号：EP1546158A1

  公开（公告）日：2005-06-29
• [EN] AZOLE DERIVATIVES AS ANTIFUNGAL AGENTS<br/>[FR] DERIVES D'AZOLE UTILISES COMME AGENTS ANTIFONGIQUES
  申请人：RANBAXY LAB LTD

  公开号：WO2004018486A1

  公开（公告）日：2004-03-04

  The present invention relates to novel azole derivatives of Formula I, as potential antifungal agents.This invention also relates to pharmaceutical compositions containing the compounds of the present invention and their use in treating and / or preventing the fungal infections in mammals, preferably humans.
• Synthesis of 2[(1<i>R</i>,2<i>R</i>)-2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1<i>H</i>-1,2,4-triazol-yl)propyl]-4-[4-tetrafluoropropoxy)phenyl]-3-(2<i>H</i>,4<i>H</i>)-1,2,4-triazol-3-thione—A Novel and Potent Azole Antifungal Agent
  作者：Jitendra A. Sattigeri、Sachin Sethi、Mohammad Salman

  DOI：10.1080/00397910903014232

  日期：2010.2.26

  A simple approach involving refluxing appropriately disubstituted thiosemicarbazide 8 in presence of formic acid for the synthesis of 1, a potent azole antifungal agent, has been described.