4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1S)-1-methylpropyl]-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: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1S)-1-methylpropyl]-1,2,4-triazol-3-one
• 英文别名: 2-[(2S)-butan-2-yl]-4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
• 化学式: C₃₆H₄₀F₂N₈O₃
• 分子量: 670.8
• InChiKey: VBXIEZVFKHTISY-QYKOWSPFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  49
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• Tri-substituted tetrahydrofuran antifungals
  申请人：SCHERING CORPORATION

  公开号：EP0539938A1

  公开（公告）日：1993-05-05

  An antifungal compound represented by formula [I]: wherein X is independently both F or both Cl or one X is F and the other is Cl; Y= R'= (C₁-C₁₀) alkyl; (C₂-C₁₀)alkenyl; (C₂-C₁₀)alkynyl; (C₃-C₈)cycloalky or CH₂R²; R²= (C₁-C₃)perhaloalkyl; CO₂R³ *CH(OR⁴)CH₂OR⁴ or CH₂N(R⁵) R³= lower alkyl or H R⁴= R³ or (CH₂)₂OR³ R⁵= lower alkyl Z=H, or (C₁-C₅) alkanoyl and the carbons with the asterisks (*) have the R or S absolute configuration; or a pharmaceutically acceptable salt thereof as well as pharmacetical compositions containing them and a methods of treating or preventing fungal infections in mammals using them are disclosed.

  一种由化学式[I]表示的抗真菌化合物：其中X独立地为两个F或两个Cl或一个X为F，另一个为Cl；Y=R'=（C₁-C₁₀）烷基；（C₂-C₁₀）烯基；（C₂-C₁₀）炔基；（C₃-C₈）环烷基或CH₂R²；R²=（C₁-C₃）全氟烷基；CO₂R³*CH(OR⁴)CH₂OR⁴或CH₂N(R⁵)R³=较低烷基或HR⁴=R³或（CH₂）₂OR³R⁵=较低烷基Z=H，或（C₁-C₅）烷酰基，带星号（*）的碳原子具有R或S的绝对构型；或其药学上可接受的盐，以及含有它们的药物组合物以及使用它们治疗或预防哺乳动物真菌感染的方法。
• POSACONAZOLE, COMPOSITION, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND USES THEREOF
  申请人：Zhejiang Ausun Pharmaceutical Co., Ltd.

  公开号：EP3424911A1

  公开（公告）日：2019-01-09

  The present invention relates to a compound of formula III, wherein, R is selected from the group consisting of C1-C4 alkyl, substituted or unsubstituted phenyl, and substituted or unsubstituted benzyl, preferably isopropyl; and two Ar groups may be the same or different, and are each independently selected from the group consisting of substituted or unsubstituted aryl groups, preferably substituted or unsubstituted phenyl, such as p-methoxyphenyl and the like, wherein the compound is preferably in a solid form.

  本发明涉及一种式 III 的化合物，其中，R 选自 C1-C4 烷基、取代或未取代苯基、取代或未取代苄基组成的组，优选异丙基；两个 Ar 基团可以相同或不同，且各自独立地选自取代或未取代芳基组成的组，优选取代或未取代苯基，如对甲氧基苯基等，其中化合物优选为固体形式。
• TRI-SUBSTITUTED TETRAHYDROFURAN ANTIFUNGALS
  申请人：SCHERING CORPORATION

  公开号：EP0610377B1

  公开（公告）日：2001-01-24