2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
• 化学式: C₃₅H₃₈F₂N₈O₄
• 分子量: 672.7
• InChiKey: HUADITLKOCMHSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  49
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF FIBROSIS<br/>[FR] INHIBITEURS DE FIBROSE À PETITES MOLÉCULES
  申请人：CALIFORNIA INST BIOMEDICAL RES

  公开号：WO2014197738A1

  公开（公告）日：2014-12-11

  Described herein are compounds and compositions for the treatment of a fibrotic disease.

  本文描述了用于治疗纤维化疾病的化合物和组合物。
• Novel crystalline forms of conazoles and methods of making and using the same
  申请人：Remenar Julius

  公开号：US20050070551A1

  公开（公告）日：2005-03-31

  The invention provides novel soluble conazole crystalline forms (e.g. itraconazole, posaconazole and saperconazole) that include salts, co-crystals and related solvates useful as pharmaceuticals. The invention also provides pharmaceutical compositions comprising, and processes for making, these conazole crystalline forms. Methods of using such compositions for the treatment or prevention of systemic and local fungal, yeast, and dermatophyte infections are also provided.

  本发明提供了新型可溶性康唑类晶体形式（例如伊曲康唑、泊沙康唑和沙伯康唑），包括盐类、共晶体和相关溶剂化物，可用作药物。本发明还提供了包含这些康唑晶体形式的药物组合物和制备这些康唑晶体形式的方法。还提供了使用这些组合物治疗或预防系统性和局部真菌、酵母和皮肤菌感染的方法。
• SMALL MOLECULE INHIBITORS OF FIBROSIS
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20160130258A1

  公开（公告）日：2016-05-12

  Described herein are compounds and compositions for the treatment of a fibrotic disease.

  本文介绍了用于治疗纤维化疾病的化合物和组合物。
• Novel conazole crystalline forms and related processes, pharmaceutical compositions and methods
  申请人：Transform Pharmaceuticals, Inc.

  公开号：US20040019211A1

  公开（公告）日：2004-01-29

  The invention provides novel soluble conazole crystalline forms (e.g. itraconazole, posaconazole and saperconazole) that include salts, co-crystals and related solvates useful as pharmaceuticals. The invention also provides pharmaceutical compositions comprising, and processes for making, these conazole crystalline forms. Methods of using such compositions for the treatment or prevention of systemic and local fungal, yeast, and dermatophyte infections are also provided.

  本发明提供了新型可溶性康唑类晶体形式（例如伊曲康唑、泊沙康唑和沙伯康唑），包括盐、共晶和相关溶剂化合物，可用作制药用途。本发明还提供了包括这些康唑类晶体形式的制药组合物和制备方法。本发明还提供了使用这种组合物治疗或预防全身性和局部真菌、酵母和皮肤菌感染的方法。
• 4-[4-[4-[4-[[2-(2,4-Difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]triazolones
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0283992A2

  公开（公告）日：1988-09-28

  Novel 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-­dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones of formula wherein Q is N or CH; R is hydrogen, C₁₋₆alkyl or arylC₁₋₆alkyl; and R¹ is hydrogen, C₁₋₆alkyl or arylC₁₋₆alkyl; wherein aryl is phenyl optionally substituted with up to 3 substituents each independently selected from halo, C₁₋₆alkyl, C₁₋₆alkyloxy and trifluoromethyl, the pharmaceutically acceptable acid addition salts and possible stereochemically isomeric forms thereof, which compounds are anti-microbial agents; pharmaceutical compositions containing such compounds as an active ingredient and methods of preparing said compounds and pharmaceutical compositions.

  新型 4-[4-[4-[4-[[2-(2,4-二氟苯基)-2-(1H-氮唑甲基)-1,3-二氧戊环-4-基]甲氧基]苯基]-1-哌嗪基]苯基]三唑酮，其式为 其中 Q 是 N 或 CH；R 是氢、C₁₋₆ 烷基或 C₁₋₆烷基；R¹ 是氢、C₁₋₆ 烷基或 C₁₋₆烷基；其中芳基是可任选被最多 3 个各自独立选自卤代、C₁₋₆烷基、C₁₋₆烷氧基和三氟甲基的取代基取代的苯基、药学上可接受的酸加成盐及其可能的立体化学异构形式，这些化合物是抗微生物剂；含有此类化合物作为活性成分的药物组合物，以及制备上述化合物和药物组合物的方法。