methyl 2-fluoro-5-[(4aR,4bS,5S,6aS,6bS,8S,9aR,10aS,10bS)-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro[1,3]dioxolo[3',4']cyclopenta[1',2':5,6]naphtho[1,2-f]indazol-1(4H)-yl]benzoate | 1166990-61-9

• 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: methyl 2-fluoro-5-[(4aR,4bS,5S,6aS,6bS,8S,9aR,10aS,10bS)-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro[1,3]dioxolo[3',4']cyclopenta[1',2':5,6]naphtho[1,2-f]indazol-1(4H)-yl]benzoate
• 英文别名: methyl 2-fluoro-5-[(1S,2R,13S,14S,16R,18S,20S,21S,23S)-23-hydroxy-20-(2-hydroxyacetyl)-2,21-dimethyl-18-propyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9-trien-7-yl]benzoate
• CAS: 1166990-61-9
• 化学式: C₃₄H₄₁FN₂O₇
• 分子量: 608.707
• InChiKey: KREUWLFFVLMBJA-JXAHCWJNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Steroid Derivatives Acting As Glucocorticosteroid Receptor Agonists
  申请人：Bladh Håkan

  公开号：US20110160167A1

  公开（公告）日：2011-06-30

  The present invention provides compounds of formula (I) wherein n, p, R 1 , R 2 , X 1 , X 2 , X 3 , R 3a , R 3b , R 4 , R 5 and R 6 are as defined in the specification, a process for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）的化合物，其中n，p，R1，R2，X1，X2，X3，R3a，R3b，R4，R5和R6如规范中所定义，以及它们的制备方法，包含它们的制药组合物和它们在治疗中的用途。