(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-8-(4-butoxy-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester | 1400571-75-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-8-(4-butoxy-benzyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carbothioic acid S-fluoromethyl ester
• 英文别名: S-(fluoromethyl) (1S,2S,4S,8R,9S,11S,12R,13S,19S)-6-[(4-butoxyphenyl)methyl]-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-7-oxa-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carbothioate
• CAS: 1400571-75-6
• 化学式: C₃₃H₄₀F₃NO₅S
• 分子量: 619.746
• InChiKey: VJXNUYOQPMJASU-YIJZDANSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• ISOXAZOLIDINE DERIVATIVES
  申请人：GHIDINI Eleonora

  公开号：US20120234316A1

  公开（公告）日：2012-09-20

  Anti-inflammatory and antiallergic compounds of the glucocorticosteroid series, according to formula (I) according to formula (I) defined herein are useful for treating diseases of the respiratory tract characterized by airway obstruction.

  糖皮质类固醇系列的抗炎和抗过敏化合物，根据本文所定义的公式(I)，对于治疗以气道阻塞为特征的呼吸道疾病是有用的。
• Isoxazolidine derivatives
  申请人：CHIESI FARMACEUTICI S.p.A.

  公开号：US10280193B2

  公开（公告）日：2019-05-07

  Anti-inflammatory and antiallergic compounds of the glucocorticosteroid series, according to formula (I) according to formula (I) defined herein are useful for treating diseases of the respiratory tract characterized by airway obstruction.

  根据式（I）定义的糖皮质激素系列抗炎和抗过敏化合物可用于治疗以气道阻塞为特征的呼吸道疾病。
• US9845337B2
  申请人：——

  公开号：US9845337B2

  公开（公告）日：2017-12-19
• [EN] ISOXAZOLIDINE DERIVATIVES<br/>[FR] DÉRIVÉS D'ISOXAZOLIDINE
  申请人：CHIESI FARMA SPA

  公开号：WO2012123482A2

  公开（公告）日：2012-09-20

  The present invention relates to novel anti-inflammatory and antiallergic compounds of the glucocorticosteroid series, methods of preparing such compounds, pharmaceutical compositions comprising them, combinations and therapeutic uses thereof. More particularly, the invention relates to glucocorticosteroids that are derivatives of isoxazolidine.