N-(3-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-yloxy)phenyl)acrylamide | 1254783-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-(3-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-yloxy)phenyl)acrylamide
• 英文别名: N-[3-[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
• CAS: 1254783-32-8
• 化学式: C₂₄H₂₄ClN₅O₄
• 分子量: 481.939
• InChiKey: SGYVANQNHBGWFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  97.8
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-甲氧基-4-(4-吗啉)苯胺 在 platinum(IV) oxide 、 氢气 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 仲丁醇 为溶剂， 生成 N-(3-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-yloxy)phenyl)acrylamide
  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

• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20150246040A1

  公开（公告）日：2015-09-03

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.

  本发明提供了化合物、药学上可接受的组合物以及使用这些化合物的方法。
• [EN] HETEROCYCLIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：AVILA THERAPEUTICS INC

  公开号：WO2012061299A1

  公开（公告）日：2012-05-10

  Heterocyclic pyrimidine compounds that modulate mutant-selective epidermal growth factor receptor (EGFR) kinase activity are disclosed. Selectivity in inhibition of various mutant-EGFR is disclosed. Pharmaceutical compositions containing the pyrimidine derivatives, and methods of treating diseases associated with EGFR kinase activity comprising administration of the pyrimidine derivatives or pharmaceutical compositions containing the pyrimidine derivative, are described.

  本发明披露了调节突变选择性表皮生长因子受体（EGFR）激酶活性的杂环嘧啶化合物。披露了对各种突变EGFR的选择性抑制。描述了含有嘧啶衍生物的药物组合物以及治疗与EGFR激酶活性相关的疾病的方法，包括给予嘧啶衍生物或含有嘧啶衍生物的药物组合物。
• 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。
• Heterocyclic compounds and uses thereof
  申请人：Celgene CAR LLC

  公开号：US10434101B2

  公开（公告）日：2019-10-08

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.

  本发明提供了化合物、其药学上可接受的组合物及其使用方法。
• Heterocyclic Compounds and Uses Thereof
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20170027937A1

  公开（公告）日：2017-02-02

  The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.