4'-hydroxy-(R)-flurbiprofen | 124097-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-hydroxy-(R)-flurbiprofen
• 英文别名: (R)-4'-Hydroxy-Flurbiprofen；(R)-4'-Hydroxyflurbiprofen；(2R)-2-[3-fluoro-4-(4-hydroxyphenyl)phenyl]propanoic acid
• CAS: 124097-43-4
• 化学式: C₁₅H₁₃FO₃
• 分子量: 260.265
• InChiKey: GTSMMBJBNJDFRA-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  4

ADMET

代谢

4-羟基-S-氟比洛芬已知的人体代谢物包括 (2S,3S,4S,5R)-6-[4-[4-[(1R)-1-羧基乙基]-2-氟苯基]苯氧基]-3,4,5-三羟基氧杂环己烷-2-羧酸。

4-Hydroxy-S-flurbiprofen has known human metabolites that include (2S,3S,4S,5R)-6-[4-[4-[(1R)-1-carboxyethyl]-2-fluorophenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

来源:NORMAN Suspect List Exchange

文献信息

• [EN] IDENTIFICATION OF INTERACTING MOLECULES<br/>[FR] IDENTIFICATION DE MOLECULES D'INTERACTION
  申请人：MEDIMOLECULAR PTY LTD

  公开号：WO2003003012A1

  公开（公告）日：2003-01-09

  The present invention provides a method for identifying a protein capable of binding to a specific target molecule. The method involves allowing candidate proteins to bind to the target molecule in the presence of a second molecule which is structurally similar to the non-nucleic acid target molecule, but deficient in a desired activity of the target molecule, and isolating the proteins that bind to the target molecule. The invention also provides analogues of flurbiprofen and sulindac as target molecules for use in the methods of the invention.