(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3,3-dimethyl-butyl)-4b,12-difluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a-dimethyl-4b,5,6,6a,6b,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-2-one | 1323941-86-1

• 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,6bS,9aR,10aS,10bS,12S)-8-(3,3-dimethyl-butyl)-4b,12-difluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a-dimethyl-4b,5,6,6a,6b,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-2-one
• 英文别名: (1S,2S,4R,8S,9S,11S,12R,13S,19S)-6-(3,3-dimethylbutyl)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
• CAS: 1323941-86-1
• 化学式: C₂₉H₄₁F₂NO₄
• 分子量: 505.646
• InChiKey: UVCUYSXSYUEFBQ-OJONCCNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Acetic acid 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3,3-dimethyl-butyl)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-6b-yl]-2-oxo-ethyl ester 、 (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-cyclopropylmethyl-4b,12-difluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a-dimethyl-4b,5,6,6a,6b,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-azapentaleno[2,1-a]phenanthrene-2-one 生成 (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-8-(3,3-dimethyl-butyl)-4b,12-difluoro-5-hydroxy-6b-(2-hydroxy-acetyl)-4a,6a-dimethyl-4b,5,6,6a,6b,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-2-one
  参考文献：
  名称：

  PYRROLIDINE DERIVATIVES

  摘要：

  本发明涉及一种新型的糖皮质激素系列的抗炎和抗过敏化合物，其制备方法，包括它们的制药组合物，以及它们的联合和治疗用途。更具体地说，本发明涉及吡咯烷衍生物的糖皮质激素。

  公开号：

  US20110201580A1

文献信息

• Pyrrolidine compounds,pharmaceutical compositions containing the same, devices containing the same, and methods of treating asthma or chronic obstructive pulmonary disease by administering the same
  申请人：Ghidini Eleonora

  公开号：US08481517B2

  公开（公告）日：2013-07-09

  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 pyrrolidine.

  本发明涉及糖皮质激素系列的新型抗炎和抗过敏化合物，制备这种化合物的方法，包含它们的药物组合物以及它们的治疗用途。更具体地说，本发明涉及吡咯烷衍生物的糖皮质激素。
• US8481517B2
  申请人：——

  公开号：US8481517B2

  公开（公告）日：2013-07-09
• [EN] PYRROLIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRROLIDINE
  申请人：CHIESI FARMA SPA

  公开号：WO2011095535A2

  公开（公告）日：2011-08-11

  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 pyrrolidine.