1-{1-[(4S,5R)-2-(4-chloro-2-ethoxy-5-methanesulfonylphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl}-3-(1,1-dioxotetrahydro-1λ6-thiophen-3-yl)urea | 1610829-80-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-{1-[(4S,5R)-2-(4-chloro-2-ethoxy-5-methanesulfonylphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl}-3-(1,1-dioxotetrahydro-1λ6-thiophen-3-yl)urea
• 英文别名: 1-{1-[(4S,5R)-2-(4-Chloro-2-ethoxy-5-methanesulfonyl-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperidin-4-yl}-3-(1,1-dioxo-tetrahydro-1lambda6-thiophen-3-yl)-urea；1-[1-[(4S,5R)-2-(4-chloro-2-ethoxy-5-methylsulfonylphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]-3-(1,1-dioxothiolan-3-yl)urea
• CAS: 1610829-80-5
• 化学式: C₃₇H₄₂Cl₃N₅O₇S₂
• 分子量: 839.261
• InChiKey: IVXFLZMJPXQOBN-OSJLBECQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  54
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  171
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (4S,5R)-2-(4-chloro-2-ethoxy-5-methanesulfonyl-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl chloride 、 1-(1,1-Dioxo-tetrahydro-thiophen-3-yl)-3-piperidin-4-yl-urea 生成 1-{1-[(4S,5R)-2-(4-chloro-2-ethoxy-5-methanesulfonylphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydroimidazole-1-carbonyl]piperidin-4-yl}-3-(1,1-dioxotetrahydro-1λ6-thiophen-3-yl)urea
  参考文献：
  名称：

  Novel Imidazolines as dual inhibitors of MDM2 and MDMX

  摘要：

  本发明涉及一种公式I化合物或其药学上可接受的盐，其中X1、X2、X3、R1、R2和R3如本申请所述，并且使用这些化合物治疗癌症的方法。

  公开号：

  US20140148443A1

文献信息

• [EN] NOVEL IMIDAZOLINES AS DUAL INHIBITORS OF MDM2 AND MDMX<br/>[FR] NOUVELLES IMIDAZOLINES UTILISÉES EN TANT QUE DOUBLES INHIBITEURS DE MDM2 ET MDMX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014082889A1

  公开（公告）日：2014-06-05

  Disclosed are compounds of Formula I or pharmaceutically acceptable salts thereof, wherein X1, X2, X3, R1, R2 and R3 are as described in this application, methods for making said compounds as well as methods of using them in the treatment of cancer.