2-chloro-4-[(E,3R)-4,4,4-trifluoro-3-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylmethyl]but-1-enyl]benzonitrile

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醇
• 英文名称: 2-chloro-4-[(E,3R)-4,4,4-trifluoro-3-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylmethyl]but-1-enyl]benzonitrile
• 化学式: C₁₉H₁₅ClF₃NO₅S₂
• 分子量: 493.9
• InChiKey: JBJGBGJIMNBYSZ-BLGFXRMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• [EN] (E,3R)-ENANTIOMER OF 4-(3-CHLORO -4-CYANOPHENYL) -1-(P- METHYLSULPHONYL -PHENYLSULPHONYL) -2-TRIFLUOROMETHYLBUT -TRANS-3-EN-OL<br/>[FR] ÉNANTIOMÈRE (E,2R) DE 4-(3-CHLORO-4-CYANOPHÉNYL)-1-(P-MÉTHYLSULFONYL-PHÉNYLSULFONYL)-2-TRIFLUOROMÉTHYLBUT-TRANS-3-ÉN-OL
  申请人：ASTRAZENECA AB

  公开号：WO2000069814A1

  公开（公告）日：2000-11-23

  The present invention relates to an (E,3R)-enantiomer of Formula (I) or a pharmaceutically-acceptable salt or in vivo-cleavable ester or ether thereof, substantially free of the enantiomeric (E,3S)-compound. The compound is a peripherally-selective antiandrogen. The invention also relates to a crystalline form of the enantiomer or the salt, ester or ether thereof. In addition, the present invention relates to a process for the preparation of all of these compounds, a pharmaceutical composition comprising the enantiomer, salt, ester, ether or crystalline form, and uses and methods employing the enantiomer, salt, ester, ether or crystalline form.