2,5-Dimethyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione | 122079-47-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,5-Dimethyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
• CAS: 122079-47-4
• 化学式: C₈H₁₂N₂O₂
• 分子量: 168.195
• InChiKey: VOEVIEOYWXYBBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-甲基马来酰亚胺 、 聚合甲醛 、 肌氨酸 以 苯 为溶剂， 反应 3.0h， 以63%的产率得到2,5-Dimethyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
  参考文献：
  名称：

  Joucla, Marc; Mortier, Jacques, Bulletin de la Societe Chimique de France, 1988, # 3, p. 579 - 583

  摘要：

  DOI：

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。
• SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1
  申请人：CADILA HEALTHCARE LIMITED

  公开号：US20150291603A1

  公开（公告）日：2015-10-15

  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.

  本发明涉及一种新的化合物通式(I)，其立体异构体、区域异构体、互变异构体和合成中所涉及的新中间体，其药学上可接受的盐、药学上可接受的溶剂和含有它们的药物组合物。本发明还涉及一种制备新的化合物通式(I)、其立体异构体、区域异构体、互变异构体、其药学上可接受的盐、药学上可接受的溶剂、含有它们的药物组合物和合成中所涉及的新中间体的方法。
• JOUCLA, MARC;MORTIER, JACQUES, BULL. SOC. CHIM. FR.,(1988) N 3, C. 579-583
  作者：JOUCLA, MARC、MORTIER, JACQUES

  DOI：——

  日期：——
• SUBSTITUTED PHTHALAZIN-1(2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1
  申请人：Cadila Healthcare Limited

  公开号：EP2938598B1

  公开（公告）日：2016-12-21
• US9598418B2
  申请人：——

  公开号：US9598418B2

  公开（公告）日：2017-03-21