9α-Fluoro-11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-dipropionate | 68791-41-3

• 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: 9α-Fluoro-11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-dipropionate
• 英文别名: [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
• CAS: 68791-41-3
• 化学式: C₂₇H₃₅FO₇
• 分子量: 490.569
• InChiKey: UNKHLBXSBZODPM-UBFCWUJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  9α-Fluoro-11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-dipropionate 在 钯 三乙胺 作用下， 以 4,4-dichlorobutan-2-one 、 丙酮 为溶剂， 生成 9α-Fluoro-11β,17α,21-trihydroxy-5β-pregnane-3,20-dione 17,21-dipropionate
  参考文献：
  名称：

  17.alpha.-Acyloxy-5.beta.-corticoids

  摘要：

  17α-酰氧基-5β-孕烷(I)和17α-酰氧基-5α-孕烷(IV)具有出色的活性分离，提供高效的局部抗炎活性，且系统副作用非常低。

  公开号：

  US04336200A1

文献信息

• 9.beta.,11.beta.-Epoxy-5.beta.-corticoids
  申请人：The Upjohn Company

  公开号：US04318853A1

  公开（公告）日：1982-03-09

  17.alpha.-Acyloxy-5.alpha.-pregnanes (I) and 17.alpha.-acyloxy-5.alpha.-pregnanes (IV) have an excellent activity split providing high topical anti-inflammatory activity with very low systemic side effects.

  17α-酰氧-5α-孕烷(I)和17α-酰氧-5α-孕烷(IV)具有出色的活性分裂，提供高效的局部抗炎活性，副作用非常低。
• AYER, D. E.;SCHLAGEL, C. A.
  作者：AYER, D. E.、SCHLAGEL, C. A.

  DOI：——

  日期：——
• MOTOR-ASSOCIATED NEURODEGENERATIVE DISEASE AND METHODS OF TREATMENT
  申请人：Verge Analytics, Inc.

  公开号：US20170360805A1

  公开（公告）日：2017-12-21

  Disclosed herein are methods and compounds for treating a motor-associated neurodegenerative disease or condition. In some instances, also included herein are methods and compounds for treating a TDP-43 associated neurodegenerative disease or condition (e.g., ALS and frontotemporal dementia) and/or a C9orf72 associated neurodegenerative disease or condition (e.g., ALS and frontotemporal dementia).
• [EN] MOTOR-ASSOCIATED NEURODEGENERATIVE DISEASE AND METHODS OF TREATMENT<br/>[FR] MALADIE NEURODÉGÉNÉRATIVE MOTRICE ET MÉTHODES DE TRAITEMENT
  申请人：VERGE ANALYTICS INC

  公开号：WO2017218815A1

  公开（公告）日：2017-12-21

  Disclosed herein are methods and compounds for treating a motor-associated neurodegenerative disease or condition. In some instances, also included herein are methods and compounds for treating a TDP-43 associated neurodegenerative disease or condition (e.g., ALS and frontotemporal dementia) and/or a C9orf72 associated neurodegenerative disease or condition (e.g., ALS and frontotemporal dementia).