(4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-8-[4-(4-hydroxy-phenylsulfanylmethyl)-benzyl]-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-carboxylic acid | 1399259-88-1

• 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)-4b,12-difluoro-5-hydroxy-8-[4-(4-hydroxy-phenylsulfanylmethyl)-benzyl]-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-carboxylic acid
• 英文别名: (4a5,4bR,5S,6a5,6bR,9a5,10aS,10bS,125)-4b,12-difluoro-5-hydroxy-8-[4-(4-hydroxy-phenylsulfanylmethyl)-benzyl]-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,ll,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthrene-6b-carboxylic acid；(1S,2S,4S,8R,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6-[[4-[(4-hydroxyphenyl)sulfanylmethyl]phenyl]methyl]-9,13-dimethyl-16-oxo-7-oxa-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid
• CAS: 1399259-88-1
• 化学式: C₃₅H₃₇F₂NO₆S
• 分子量: 637.745
• InChiKey: IEOGUMYJGJSWOL-XKHURNDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  45
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  133
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• ISOXAZOLIDINE DERIVATIVES
  申请人：GHIDINI Eleonora

  公开号：US20120238531A1

  公开（公告）日：2012-09-20

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

  根据此处定义的公式(I)，糖皮质类固醇系列的抗炎和抗过敏化合物对于治疗呼吸道疾病特别有效，这些疾病以气道阻塞为特征。
• US8835412B2
  申请人：——

  公开号：US8835412B2

  公开（公告）日：2014-09-16
• [EN] ISOXAZOLIDINE DERIVATIVES<br/>[FR] DÉRIVÉS D'ISOXAZOLIDINE
  申请人：CHIESI FARMA SPA

  公开号：WO2012123493A2

  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 comprisingthem, combinations and therapeutic uses thereof. More particularly, the invention relates to glucocorticosteroids that are derivatives of isoxazolidine.