4-(1-azabicyclo[2.2.2]oct-3-ylamino)-3-(5-hydroxy-1H-benzimidazol-2-yl)quinolin-2(1H)-one | 668424-55-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-(1-azabicyclo[2.2.2]oct-3-ylamino)-3-(5-hydroxy-1H-benzimidazol-2-yl)quinolin-2(1H)-one
• 英文别名: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(6-hydroxy-1H-benzimidazol-2-yl)-1H-quinolin-2-one
• CAS: 668424-55-3
• 化学式: C₂₃H₂₃N₅O₂
• 分子量: 401.468
• InChiKey: HWRXWVUOPVHHLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  93.3
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• Combination therapy with CHK1 inhibitors
  申请人：Gesner G. Thomas

  公开号：US20050256157A1

  公开（公告）日：2005-11-17

  Compounds of Structure I, and salts, tautomers, stereoisomers, and mixtures thereof may be used in methods of inhibiting checkpoint kinase 1 in subjects, in methods for inducing cell cycle progression, and in methods for increasing apoptosis in cells. Such compounds may be used to prepare pharmaceutical compositions and may be used in conjunction with DNA damaging agents.

  结构I的化合物及其盐类、互变异构体、立体异构体和混合物可用于抑制受试者中的检查点激酶1，用于诱导细胞周期进展的方法，以及用于增加细胞凋亡的方法。这些化合物可用于制备药物组合物，并且可以与DNA损伤剂联合使用。
• Benzimidazole quinolinones and uses thereof
  申请人：Novartis Vaccines and Diagnostics, Inc.

  公开号：EP2573079A2

  公开（公告）日：2013-03-27

  Methods of inhibiting various enzymes and treating various conditions are provided that include administering to a subject a compound of Structure I or IB, a pharmaceutically acceptable salt thereof, a tautomer thereof, or a pharmaceutically acceptable salt of the tautomer. Compounds having the Structure I and IB have the following structures and have the variables described herein. Such compounds may be used to prepare medicaments for use in inhibiting various enzymes and for use in treating conditions mediated by such enzymes.

  提供了抑制各种酶和治疗各种病症的方法，包括向受试者施用结构 I 或 IB 的化合物、其药学上可接受的盐、其同系物或同系物的药学上可接受的盐。具有结构 I 和 IB 的化合物具有以下结构，并具有本文所述的变量。此类化合物可用于制备抑制各种酶和治疗由此类酶介导的疾病的药物。
• Pharmaceutically acceptable salts of quinolinone compounds and their medical use
  申请人：Novartis Vaccines and Diagnostics, Inc.

  公开号：EP2762475A1

  公开（公告）日：2014-08-06

  A salt of a compound of Formula I or a tautomer of the compound, wherein Formula I has the following structure and R1-R9 and R12-R14 are as defined herein

  式 I 化合物的盐或该化合物的同系物，其中式 I 具有如下结构，R1-R9 和 R12-R14 如本文所定义