11β,17,21-trihydroxy-pregn-4-eno[2,3-d]isoxazol-20-one | 100300-83-2

• 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: 11β,17,21-trihydroxy-pregn-4-eno[2,3-d]isoxazol-20-one
• 英文别名: 1-[(2R,17R,18S,20S)-17,20-dihydroxy-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-hydroxyethanone
• CAS: 100300-83-2
• 化学式: C₂₂H₂₉NO₅
• 分子量: 387.476
• InChiKey: OUBMKTDGHPMSKO-IYVXNATLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• NOVEL [3,2-c] HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS COMPOSITIONS AND USES THEREOF
  申请人：Purakkattle Biju J.

  公开号：US20120171126A1

  公开（公告）日：2012-07-05

  The present invention provides compounds of Formula (I), and pharmaceutically acceptable salts, solvates, esters, prodrugs, tautomers, or isomers of said compounds), having the general structure: Formula (I) wherein L, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are selected independently of each other and as defined herein. The present invention also provides compounds (and salts, solvates, esters, prodrugs, tautomers, and isomers) of Formulas (H-A), (II-A1), (II-A2), (II-A2.1), (ll-A-2.2), (ll-A-2.3), (II-A4), (H-B), (H-C), (III), (IV), (V), (VI), as described herein. Also provided are pharmaceutical compositions, methods of preparing, and methods of using such compounds in the treatment and prophylaxis of a wide range of immune, autoimmune, and inflammatory diseases and conditions.
• [EN] NOVEL [3,2-c] HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS, COMPOSITIONS AND USES THEREOF<br/>[FR] NOUVEAUX [3,2-C] HÉTÉROARYL STÉROÏDES EN TANT QU'AGONISTES DES RÉCEPTEURS GLUCOCORTICOÏDES, COMPOSITIONS ET UTILISATIONS DE CEUX-CI
  申请人：SCHERING CORP

  公开号：WO2010147947A2

  公开（公告）日：2010-12-23

  The present invention provides compounds of Formula (I), and pharmaceutically acceptable salts, solvates, esters, prodrugs, tautomers, or isomers of said compounds), having the general structure: Formula (I) wherein L, R1, R2, R3, R4, R5, and R6 are selected independently of each other and as defined herein. The present invention also provides compounds (and salts, solvates, esters, prodrugs, tautomers, and isomers) of Formulas (H-A), (II-A1 ), (II-A2), (II-A2.1 ), (ll-A-2.2), (ll-A-2.3), (II-A4), (H-B), (H-C), (III), (IV), (V), (Vl), as described herein. Also provided are pharmaceutical compositions, methods of preparing, and methods of using such compounds in the treatment and prophylaxis of a wide range of immune, autoimmune, and inflammatory diseases and conditions.