3-(1-((2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)methyl)piperidin-4-yl)benzoic acid | 1246083-79-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(1-((2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)methyl)piperidin-4-yl)benzoic acid
• 英文别名: 3-[1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]benzoic acid
• CAS: 1246083-79-3
• 化学式: C₂₂H₂₄N₂O₄
• 分子量: 380.444
• InChiKey: IWEWMCFHBJPZKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS
  申请人：Brown Jason W.

  公开号：US20120094992A1

  公开（公告）日：2012-04-19

  Compounds of the following formula are provided for use in inhibiting Poly (ADP-ribose) Polymerase (PARP): wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds.

  以下式子的化合物被提供用于抑制Poly (ADP-ribose) Polymerase (PARP)的作用： 其中变量在此定义。还提供了制备该化合物的药物组合物、工具箱和制造品、中间体的方法以及使用该化合物的方法。
• Poly (ADP-ribose) Polymerase (PARP) Inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2415767A1

  公开（公告）日：2012-02-08

  The invention provides compounds of the general formula (1): wherein the variables are as defined herein. The compounds have use in inhibiting poly (ADP-ribose) Polymerase (PARP). The invention also provides pharmaceutical compositions containing the compounds and their use as medicaments.

  本发明提供通式（1）的化合物： 其中的变量如本文所定义。这些化合物可用于抑制聚（ADP-核糖）聚合酶（PARP）。本发明还提供了含有这些化合物的药物组合物及其作为药物的用途。
• US8669249B2
  申请人：——

  公开号：US8669249B2

  公开（公告）日：2014-03-11
• [EN] POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS<br/>[FR] INHIBITEURS DE LA POLY(ADP-RIBOSE)POLYMÉRASE (PARP)
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010111626A2

  公开（公告）日：2010-09-30

  Compounds of the following formula are provided for use in inhibiting Poly (ADP-ribose) Polymerase (PARP): wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds.