1-[3-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-purin-6-yl]amino]piperidin-1-yl]prop-2-en-1-one | 1254782-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[3-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-purin-6-yl]amino]piperidin-1-yl]prop-2-en-1-one
• CAS: 1254782-76-7
• 化学式: C₂₄H₃₁N₉O
• 分子量: 461.57
• InChiKey: UDACCZAUJRUDES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,6-二氯-9-(四氢-2H-吡喃-2-基)-9h-嘌呤 在 盐酸 、 tris-(dibenzylideneacetone)dipalladium(0) 、 N,N-二异丙基乙胺 、 sodium t-butanolate 、 1,3-双(2,6-二异丙基苯基)氯化咪唑鎓 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 正丁醇 为溶剂， 生成 1-[3-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-purin-6-yl]amino]piperidin-1-yl]prop-2-en-1-one
  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。
• LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME
  申请人：Dana Farber Cancer Institute, Inc.

  公开号：EP3778604A1

  公开（公告）日：2021-02-17

  Compounds having the formula I, II, or III: are provided. Compounds of the present disclosure are useful for the treatment of neurodegenerative diseases, such as Parkinson's Disease.

  具有式 I、II 或 III 的化合物： 的化合物。本公开的化合物可用于治疗神经退行性疾病，如帕金森病。
• LRRK2 inhibitors and methods of making and using the same
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10913744B2

  公开（公告）日：2021-02-09

  Compounds having the formula I, II, or III: are provided. Compounds of the present disclosure are useful for the treatment of neurodegenerative diseases, such as Parkinson's Disease.

  具有式 I、II 或 III 的化合物： 的化合物。本公开的化合物可用于治疗神经退行性疾病，如帕金森病。
• 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