7-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one | 1036726-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
• 英文别名: 7-(pyrrolidine-1-carbonyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one；7-(pyrrolidine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
• CAS: 1036726-88-1
• 化学式: C₁₆H₁₅N₃O₂
• 分子量: 281.314
• InChiKey: QPNABAMQTYQTKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 4-oxo-4,5-dihydropyrrolo[1,2-a]quinoxaline-7-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
  参考文献：
  名称：

  Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1)

  摘要：

  Based on screening hit 1, a series of tricyclic quinoxalinones have been designed and evaluated for inhibition of PARP-1. Substitutions at the 7- and 8-positions of the quinoxalinone ring led to a number of compounds with good enzymatic and cellular potency. The tricyclic quinoxalinone class is sensitive to modifications of both the amine substituent and the tricyclic core. The synthesis and structure-activity relationship studies are presented.

  DOI：

  10.1016/j.bmcl.2009.06.016

文献信息

• INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE
  申请人：Giranda Vincent L.

  公开号：US20080161292A1

  公开（公告）日：2008-07-03

  Inhibitors of poly(ADP-ribose)polymerase, ways to make them and methods of treating patients using them are disclosed.

  抑制聚(ADP-核糖)聚合酶的抑制剂，制备方法以及使用它们治疗患者的方法被披露。
• US7790721B2
  申请人：——

  公开号：US7790721B2

  公开（公告）日：2010-09-07
• [EN] INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE<br/>[FR] INHIBITEURS DE POLY(ADP-RIBOSE)POLYMÉRASE
  申请人：ABBOTT LAB

  公开号：WO2008082887A2

  公开（公告）日：2008-07-10

  [EN] Inhibitors of poly(ADP-ribose)polymerase, ways to make them and methods of treating patients using them are disclosed.
  [FR] L'invention concerne des inhibiteurs de poly(ADP-ribose)polymérase, leurs procédés de fabrication et les procédés de traitement de patients les utilisant.
• Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1)
  作者：Julie Miyashiro、Keith W. Woods、Chang H. Park、Xuesong Liu、Yan Shi、Eric F. Johnson、Jennifer J. Bouska、Amanda M. Olson、Yan Luo、Elizabeth H. Fry、Vincent L. Giranda、Thomas D. Penning

  DOI：10.1016/j.bmcl.2009.06.016

  日期：2009.8

  Based on screening hit 1, a series of tricyclic quinoxalinones have been designed and evaluated for inhibition of PARP-1. Substitutions at the 7- and 8-positions of the quinoxalinone ring led to a number of compounds with good enzymatic and cellular potency. The tricyclic quinoxalinone class is sensitive to modifications of both the amine substituent and the tricyclic core. The synthesis and structure-activity relationship studies are presented.