(4aS,4bR,5S,6aS,6bS,8R,9aR,10aS,10bS,12S)-4b,12-difluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-(4-{[3-(methylsulfinyl)phenyl]thio}phenyl)-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one | 1159113-34-4

• 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,8R,9aR,10aS,10bS,12S)-4b,12-difluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-(4-{[3-(methylsulfinyl)phenyl]thio}phenyl)-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
• 英文别名: (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-[4-(3-methylsulfinylphenyl)sulfanylphenyl]-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
• CAS: 1159113-34-4
• 化学式: C₃₅H₃₆F₂O₇S₂
• 分子量: 670.795
• InChiKey: OXUWKBALBCKZRA-QXBCYCOSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  46
• 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：
  155
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (4aS,4bR,5S,6aS,6bS,8R,9aR,10aS,10bS,12S)-4b,12-difluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-(4-{[3-(methylthio)phenyl]thio}phenyl)-4a,4b,5,6,6a,6-b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho-[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one 在 六氟异丙醇 、 双氧水 作用下， 以 水 为溶剂， 反应 1.5h， 以61%的产率得到(4aS,4bR,5S,6aS,6bS,8R,9aR,10aS,10bS,12S)-4b,12-difluoro-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-(4-{[3-(methylsulfinyl)phenyl]thio}phenyl)-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
  参考文献：
  名称：

  [EN] NOVEL GLUCOCORTICOID RECEPTOR AGONISTS
  [FR] NOUVEAUX AGONISTES DES RÉCEPTEURS DES GLUCOCORTICOÏDES

  摘要：

  公开号：

  WO2009069032A3

文献信息

• Novel Glucocorticoid Receptor Agonists
  申请人：Glossop Paul Alan

  公开号：US20090227548A1

  公开（公告）日：2009-09-10

  This Invention Relates To Novel Glucocorticoid Receptor Agonists of Formula (I): and to processes and intermediates for their preparation. The present invention also relates to pharmaceutical compositions containing these compounds, to their combination with one or more other therapeutic agents, as well as to their use for the treatment of a number of inflammatory and allergic diseases, disorders and conditions.

  本发明涉及一种新型的糖皮质激素受体激动剂，其化学式为(I)，以及用于其制备的工艺和中间体。本发明还涉及含有这些化合物的制药组合物，以及它们与一个或多个其他治疗剂的联合使用，以治疗多种炎症和过敏性疾病、紊乱和病况。
• NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS
  申请人：Pfizer Inc.

  公开号：US20140336160A1

  公开（公告）日：2014-11-13

  This invention relates to novel glucocorticoid receptor agonists of formula (I): and to processes and intermediates for their preparation. The present invention also relates to pharmaceutical compositions containing these compounds, to their combination with one or more other therapeutic agents, as well as to their use for the treatment of a number of inflammatory and allergic diseases, disorders and conditions.

  本发明涉及一种新型糖皮质激素受体激动剂，其化学式为（I），以及其制备过程和中间体。本发明还涉及含有这些化合物的制药组合物，以及它们与一种或多种其他治疗剂的组合，以及它们用于治疗多种炎症和过敏性疾病、障碍和病况。
• NOVEL GLUCOCORTICOID RECEPTOR AGONISTS
  申请人：Pfizer Limited

  公开号：EP2225256B1

  公开（公告）日：2013-01-09
• US8822439B2
  申请人：——

  公开号：US8822439B2

  公开（公告）日：2014-09-02