(3R,4R)-3-[(R)-6-hydroxy-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione | 1383937-52-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (3R,4R)-3-[(R)-6-hydroxy-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
• 英文别名: metabolite5；(3R,4R)-3-((R)-6-hydroxy-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione；(3R,4R)-3-[(9R)-9-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
• CAS: 1383937-52-7
• 化学式: C₂₃H₁₉N₃O₃
• 分子量: 385.422
• InChiKey: KUJUSTBBOKWYSG-AABGKKOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  87.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl (6-bromo-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)(oxo)acetate 在 甲醇 、 potassium tert-butylate 、 magnesium 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.5h， 生成 (3R,4R)-3-[(R)-6-hydroxy-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione 、 (3R,4R)-3-[(S)-6-hydroxy-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione 、 (3S,4S)-3-((R)-6-hydroxy-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione 、 (3S,4S)-3-((S)-6-hydroxy-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
  参考文献：
  名称：

  Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same

  摘要：

  本发明涉及吡咯喹啉基吡咯啉-2,5-二酮化合物及其合成方法。本发明还涉及含有吡咯喹啉基吡咯啉-2,5-二酮化合物的药物组合物，以及通过将这些化合物或药物组合物用于需要的受试者来治疗细胞增殖性疾病，如癌症的方法。

  公开号：

  US20120165278A1

文献信息

• EP2655372B1
  申请人：——

  公开号：EP2655372B1

  公开（公告）日：2016-03-16
• BIOCATALYTIC TECHNIQUES
  申请人：HYPHA DISCOVERY LIMITED

  公开号：US20220025416A1

  公开（公告）日：2022-01-27

  A method for the use of a cytochrome P450 enzyme comprising any of SEQ ID NO: 1-118, or mutants thereof or a variant enzyme having at least 70% identity thereto and having CYP450 activity, for the hydroxylation and or dealkylation of an organic compound.
• US8470786B2
  申请人：——

  公开号：US8470786B2

  公开（公告）日：2013-06-25
• [EN] PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME<br/>[FR] COMPOSITIONS DE PYRROLOQUINOLÉINYL-PYRROLIDINE-2,5-DIONE ET PROCÉDÉS POUR PRÉPARER ET UTILISER CEUX-CI
  申请人：ARQULE INC

  公开号：WO2012088491A2

  公开（公告）日：2012-06-28

  The present invention relates to pyrroloquinolinyl-pyrrolidine-2,5-dione compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing pyrroloquinolinyl-pyrrolidine-2,5-dione compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds or pharmaceutical compositions to subjects in need thereof.
• Pyrroloquinolinyl-Pyrrolidine-2,5-Dione Compositions And Methods For Preparing And Using Same
  申请人：Ashwell Mark A.

  公开号：US20120165278A1

  公开（公告）日：2012-06-28

  The present invention relates to pyrroloquinolinyl-pyrrolidine-2,5-dione compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing pyrroloquinolinyl-pyrrolidine-2,5-dione compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds or pharmaceutical compositions to subjects in need thereof.

  本发明涉及吡咯喹啉基吡咯啉-2,5-二酮化合物及其合成方法。本发明还涉及含有吡咯喹啉基吡咯啉-2,5-二酮化合物的药物组合物，以及通过将这些化合物或药物组合物用于需要的受试者来治疗细胞增殖性疾病，如癌症的方法。