2-Propenamide, N-[3-[[5-(3-quinolinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]- | 1186660-79-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Propenamide, N-[3-[[5-(3-quinolinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-
• 英文别名: N-[3-[(5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]prop-2-enamide
• CAS: 1186660-79-6
• 化学式: C₂₄H₁₇N₅O₂
• 分子量: 407.431
• InChiKey: DUIUREGYTDJMJK-UHFFFAOYSA-N

物化性质

• 密度：
  1.375±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯-5-碘-7H-吡咯并[2,3-d]嘧啶 在 1,1'-双(二苯基膦)二茂铁 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium hydride 、 碳酸氢钠 、 sodium carbonate 、 potassium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-Propenamide, N-[3-[[5-(3-quinolinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-
  参考文献：
  名称：

  Discovery of selective irreversible inhibitors for EGFR-T790M

  摘要：

  Targeting the epidermal growth factor receptor kinase (EGFR) with ATP-competitive kinase inhibitors results in dramatic but short-lived responses in patients with EGFR mutant non small cell lung cancer. A series of novel covalent EGFR kinase inhibitors with selectivity for the clinically relevant T790M 'gatekeeper' resistance mutation relative to wild-type EGFR were discovered by library screening. A representative compound 3i was obtained through a systematic SAR study guided by mutant EGFR-dependent cellular proliferation assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.036

文献信息

• EGFR INHIBITORS AND METHODS OF TREATING DISORDERS
  申请人：Gray Nathanael S.

  公开号：US20120094999A1

  公开（公告）日：2012-04-19

  The present invention relates to novel pyrimidine, pyrrolo-pyrimidine, pyrrolo-pyridine, pyridine, purine and triazine compounds which are able to modulate epidermal growth factor receptor (EGFR), including Her-kinases, and the use of such compounds in the treatment of various diseases, disorders or conditions.

  本发明涉及新型嘧啶，吡咯嘧啶，吡咯吡啶，吡啶，嘌呤和三嗪化合物，这些化合物能够调控表皮生长因子受体（EGFR），包括Her-kinases，并且在治疗各种疾病，障碍或条件中使用这些化合物。
• EGFR Inhibitors and Methods of Treating Disorders
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20190040065A1

  公开（公告）日：2019-02-07

  The present invention relates to novel pyrimidine, pyrrolo-pyrimidine, pyrrolo-pyridine, pyridine, purine and triazine compounds which are able to modulate epidermal growth factor receptor (EGFR), including Her-kinases, and the use of such compounds in the treatment of various diseases, disorders or conditions.
• US9908884B2
  申请人：——

  公开号：US9908884B2

  公开（公告）日：2018-03-06
• [EN] EGFR INHIBITORS AND METHODS OF TREATING DISORDERS<br/>[FR] INHIBITEURS D'EGFR ET PROCÉDÉS DE TRAITEMENT DE TROUBLES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2010129053A2

  公开（公告）日：2010-11-11

  The present invention relates to novel pyrimidine, pyrrolo-pyrimidine, pyrrolo-pyridine, pyridine, purine and triazine compounds which are able to modulate epidermal growth factor receptor (EGFR), including Her-kinases, and the use of such compounds in the treatment of various diseases, disorders or conditions.
• Discovery of selective irreversible inhibitors for EGFR-T790M
  作者：Wenjun Zhou、Dalia Ercan、Pasi A. Jänne、Nathanael S. Gray

  DOI：10.1016/j.bmcl.2010.12.036

  日期：2011.1

  Targeting the epidermal growth factor receptor kinase (EGFR) with ATP-competitive kinase inhibitors results in dramatic but short-lived responses in patients with EGFR mutant non small cell lung cancer. A series of novel covalent EGFR kinase inhibitors with selectivity for the clinically relevant T790M 'gatekeeper' resistance mutation relative to wild-type EGFR were discovered by library screening. A representative compound 3i was obtained through a systematic SAR study guided by mutant EGFR-dependent cellular proliferation assays. (C) 2010 Elsevier Ltd. All rights reserved.