(+)-5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinoline | 887375-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (+)-5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinoline
• 英文别名: (S)-Mapracorat；(2S)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
• CAS: 887375-15-7
• 化学式: C₂₅H₂₆F₄N₂O₂
• 分子量: 462.487
• InChiKey: VJGFOYBQOIPQFY-DEOSSOPVSA-N

物化性质

• 沸点：
  602.1±55.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：≥ 50.6 mg/mL（109.41 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.4
• 氢给体数：
  2
• 氢受体数：
  8

安全信息

• 储存条件：
  -20°C，密闭保存，干燥存放

制备方法与用途

(S)-Mapracorat是一种选择性的糖皮质激素受体激动剂，其活性较低。

反应信息

• 作为产物：
  描述：

  5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-2-methylquinoline 生成 (+)-5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinoline 、 化合物 T13451L
  参考文献：
  名称：

  WO2006/50998

  摘要：

  公开号：

文献信息

• 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents
  申请人：Jaroch Stefan

  公开号：US20060116396A1

  公开（公告）日：2006-06-01

  Compounds of general formula (IIa) or (IIb) and their use as pharmaceutical agents.

  通式为（IIa）或（IIb）的化合物及其作为药物的用途。
• PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS
  申请人：STECKEL Hartwig

  公开号：US20090016969A1

  公开（公告）日：2009-01-15

  The present invention provides a formulation which contains a poorly water soluble pharmaceutically active compound at a concentration of 50 mg per 100 g formulation or above. The solubility is achieved by a mixture of solvents as described herein. Moreover the formulation as described herein may be used as a base formulation to generate a cream, an ointment, a spray, a foam or an oleogel.
• SELECTIVE GLUCOCORTICOID RECEPTOR MODIFIERS FOR TREATING IMPAIRED SKIN WOUND HEALING
  申请人：AKRIBES BIOMEDICAL GMBH

  公开号：US20220047602A1

  公开（公告）日：2022-02-17

  The present invention relates to a Selective Glucocorticoid Receptor Modulator (SEGRM), or a pharmaceutically acceptable salt thereof, for use in the treatment of impaired skin wound healing in a subject, an in vitro method for identifying a subject suffering from impaired skin wound healing to be responsive to the treatment with a Selective Glucocorticoid Receptor Modulator (SEGRM), or a pharmaceutically acceptable salt thereof, and kits and kits-of-part related thereto.
• US7417056B2
  申请人：——

  公开号：US7417056B2

  公开（公告）日：2008-08-26
• US8282909B2
  申请人：——

  公开号：US8282909B2

  公开（公告）日：2012-10-09