(E)-1-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)phenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one | 1416163-85-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (E)-1-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propoxy)phenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one
• 英文别名: (E)-1-[4-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]phenyl]-3-(1-methylindol-3-yl)prop-2-en-1-one
• CAS: 1416163-85-3
• 化学式: C₂₉H₂₄F₂N₄O₃
• 分子量: 514.531
• InChiKey: MWDIRRUQVBIHJP-MDWZMJQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  82.2
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION
  申请人：Borate Hanumant Bapurao

  公开号：US20130303579A1

  公开（公告）日：2013-11-14

  Disclosed herein are novel antifungal compounds of Formula 1, containing fluconazole pharmacophore moieties coupled with other moieties including aryl enones and chalcones and pharmaceutically acceptable salts thereof, methods for preparing these compounds and pharmaceutical preparations containing these novel compounds for prevention and treatment of fungal infections.

  本文披露了一种新型抗真菌化合物，其化学式为1，包含与其他基团（包括芳基烯酮和查尔酮）耦合的氟康唑药效基团，以及其药学上可接受的盐。本文还提供了制备这些化合物的方法，以及包含这些新型化合物的制药制剂，用于预防和治疗真菌感染。
• US9512087B2
  申请人：——

  公开号：US9512087B2

  公开（公告）日：2016-12-06
• [EN] HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION<br/>[FR] MOLÉCULES HYBRIDES CONTENANT DES PHARMACOPHORES DE FLUCONAZOLE COMME AGENTS ANTIFONGIQUES ET LEUR PRÉPARATION
  申请人：FDC LTD

  公开号：WO2012172562A2

  公开（公告）日：2012-12-20

  Disclosed herein are novel antifungal compounds of Formula 1, containing fluconazole pharmacophore moieties coupled with other moieties including aryl enones and chalcones and pharmaceutically acceptable salts thereof, methods for preparing these compounds and pharmaceutical preparations containing these novel compounds for prevention and treatment of fungal infections.