10-(4-(pyrimidin-2-yl)-piperazin-1-ylmethyl)-2H-7-oxa-1,2-diazabenzo[de]anthracen-3-one | 805243-22-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 10-(4-(pyrimidin-2-yl)-piperazin-1-ylmethyl)-2H-7-oxa-1,2-diazabenzo[de]anthracen-3-one
• 英文别名: 4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
• CAS: 805243-22-5
• 化学式: C₂₃H₂₀N₆O₂
• 分子量: 412.451
• InChiKey: CSHNTDMZZIAXST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  83
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP
  申请人：Kalish J. Vincent

  公开号：US20080058325A1

  公开（公告）日：2008-03-06

  The present invention provides compounds which inhibit poly(ADP-ribose) polymerase (“PARP”) compositions containing these compounds and methods for using these PARP inhibitors to treat, prevent and/or ameliorate the effects of the conditions described herein.

  本发明提供了抑制聚(ADP核糖)聚合酶（“PARP”）的化合物，含有这些化合物的组合物以及使用这些PARP抑制剂治疗、预防和/或减轻本文所述疾病的方法。
• Diazabenzo[de]anthracen-3-one compounds and methods for inhibiting PARP
  申请人：Eisai Inc.

  公开号：EP2319847A2

  公开（公告）日：2011-05-11

  The present invention relates to diazabenzo[de]anthracen-3-one compounds which inhibit poly(ADP-ribose) polymerase ('PARP'), compositions containing these compounds and methods for using these PARP inhibitors to treat, prevent and/or ameliorate the effects of the conditions described herein.

  本发明涉及抑制聚（ADP-核糖）聚合酶（'PARP'）的重氮苯并[de]蒽-3-酮化合物、含有这些化合物的组合物以及使用这些 PARP 抑制剂治疗、预防和/或改善本文所述病症影响的方法。
• DIAZABENZOÝDE¨ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP
  申请人：MGI GP, Inc.

  公开号：EP1841771A2

  公开（公告）日：2007-10-10
• EP1841771A4
  申请人：——

  公开号：EP1841771A4

  公开（公告）日：2008-09-24
• Diazabenzo[De]anthracen-3-one Compounds and Methods for Inhibiting Parp
  申请人：Xu Weizheng

  公开号：US20090028815A1

  公开（公告）日：2009-01-29

  The present invention relates to diazabenzo[de]anthracen-3-one compounds which inhibit poly(ADP-ribose) polymerase (“PARP”), compositions containing these compounds and methods for using these PARP inhibitors to treat, prevent and/or ameliorate the effects of the conditions described herein.