4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)cyclohexa-2,4-dien-1-yl]methyl]-2H-phthalazin-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)cyclohexa-2,4-dien-1-yl]methyl]-2H-phthalazin-1-one
• 化学式: C₂₈H₂₇FN₄O₂
• 分子量: 470.5
• InChiKey: MSBFWZOIJLCYON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1<br/>[FR] DÉRIVÉS SUBSTITUÉS DE PHTALAZIN-1(2H)-ONE COMME INHIBITEURS SÉLECTIFS DE LA POLY(ADP-RIBOSE) POLYMÉRASE-1
  申请人：CADILA HEALTHCARE LTD

  公开号：WO2014102817A1

  公开（公告）日：2014-07-03

  The present invention relates to novel compounds of general formula (I), their stereoisomers, regioisomers, tautomeric forms and novel intermediates involved in their synthesis, their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutical compositions containing them. The present invention also relates to a process of preparing novel compounds of general formula (I), their stereoisomers, regioisomers, their tautomeric forms, their pharmaceutically acceptable salts, pharmaceutically acceptable solvates, pharmaceutical compositions containing them, and novel intermediates involved in their synthesis. The compounds of formula (I) are useful as PARP-1 inhibitors for the treatment of, e.g. cancer.

  本发明涉及一般式（I）的新化合物，它们的立体异构体、位置异构体、互变异构体以及其合成中所涉及的新中间体，它们的药学上可接受的盐、药学上可接受的溶剂合物以及含有它们的药物组合物。本发明还涉及一种制备一般式（I）的新化合物、它们的立体异构体、位置异构体、互变异构体、药学上可接受的盐、药学上可接受的溶剂合物、含有它们的药物组合物以及其合成中所涉及的新中间体的方法。一般式（I）的化合物可用作PARP-1抑制剂，用于治疗癌症等疾病。