4-[2-(3-chlorophenyl)ethylamino]-2-oxo-1,2-dihydropyridine-3-carboxylic acid (4-dimethylamino-phenyl)amide | 1121762-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-1,2-dihydropyridine-3-carboxylic acid (4-dimethylamino-phenyl)amide
• 英文别名: 4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
• CAS: 1121762-61-5
• 化学式: C₂₂H₂₃ClN₄O₂
• 分子量: 410.903
• InChiKey: JUOKRSVRPCWHDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-碘-2-甲氧基吡啶-3-甲醛 在 盐酸 、 sodium chlorite 、 2-甲基-2-丁烯 、 sodium dihydrogenphosphate dihydrate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 0.17h， 生成 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-1,2-dihydropyridine-3-carboxylic acid (4-dimethylamino-phenyl)amide
  参考文献：
  名称：

  Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR

  摘要：

  The rapid advancement of a series of noncovalent inhibitors of T790M mutants of EGFR is discussed. The optimization of pyridone 1, a nonselective high-throughput screening hit, to potent molecules with high levels of selectivity over wtEGFR and the broader kinome is described herein.

  DOI：

  10.1021/acsmedchemlett.5b00428

文献信息

• PYRIDONEAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS
  申请人：Georges Guy

  公开号：US20110218199A1

  公开（公告）日：2011-09-08

  Compounds of formula I are disclosed. These compounds are useful in the control or prevention of cancer.

  公式I的化合物被披露。这些化合物在控制或预防癌症方面非常有用。
• PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2190834B1

  公开（公告）日：2011-03-02
• Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR
  作者：Marian C. Bryan、Daniel J. Burdick、Bryan K. Chan、Yuan Chen、Saundra Clausen、Jennafer Dotson、Charles Eigenbrot、Richard Elliott、Emily J. Hanan、Robert Heald、Philip Jackson、Hank La、Michael Lainchbury、Shiva Malek、Sam E. Mann、Hans E. Purkey、Gabriele Schaefer、Stephen Schmidt、Eileen Seward、Steve Sideris、Shumei Wang、Ivana Yen、Christine Yu、Timothy P. Heffron

  DOI：10.1021/acsmedchemlett.5b00428

  日期：2016.1.14

  The rapid advancement of a series of noncovalent inhibitors of T790M mutants of EGFR is discussed. The optimization of pyridone 1, a nonselective high-throughput screening hit, to potent molecules with high levels of selectivity over wtEGFR and the broader kinome is described herein.