N-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine
• 英文别名: N-(3-Methyl-4-((6-methylpyridin-3-yl)oxy)phenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine；N-[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
• 化学式: C₁₉H₁₇N₅O
• 分子量: 331.377
• InChiKey: SZVAKAGCAKQORO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  75.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-甲基-4-(6-甲基吡啶-3-氧基)-苯胺 、 4-氯吡咯并[2,3-D]嘧啶 以 N-甲基吡咯烷酮 为溶剂， 反应 3.0h， 以66%的产率得到N-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine
  参考文献：
  名称：

  新型人表皮生长因子受体2（HER2）/表皮生长因子受体（EGFR）双重抑制剂带有吡咯并[3,2- d ]嘧啶骨架的设计与合成

  摘要：

  已经研究了人类表皮生长因子受体2（HER2）和表皮生长因子受体（EGFR）的双重抑制剂可治疗乳腺癌，肺癌，胃癌，前列腺癌和其他癌症。一种是拉帕替尼，目前已获准用于乳腺癌。为了开发新型的HER2 / EGFR双激酶抑制剂，我们设计并合成了能够适合受体ATP结合位点的吡咯并[3,2- d ]嘧啶衍生物。在制备的化合物中，34e显示出有效的HER2和EGFR（HER1）抑制活性以及肿瘤生长抑制活性。34e与HER2和EGFR的X射线共晶体结构表明34e与它们各自的ATP口袋中的预期残基相互作用。此外，由于34e具有良好的口服生物利用度，因此在过表达HER2的肿瘤异种移植模型中显示出强大的体内功效。基于这些发现，我们报道34e（TAK-285）作为一种新型HER2 / EGFR双激酶抑制剂在临床开发中很有希望。

  DOI：

  10.1021/jm2008634

文献信息

• Fused Heterocyclic Compound
  申请人：Ishikawa Tomoyasu

  公开号：US20070244132A1

  公开（公告）日：2007-10-18

  The present invention relates to a compound represented by the formula: wherein W is C(R 1 ) or N, each A is an optionally substituted aryl group or a heteroaryl group, X 1 is —NR 3 —Y 1 —, —O—, —S—, —SO—, —SO 2 — or —CHR 3 — wherein R 3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group, or R 3 is optionally bonded to A to form an optionally substituted ring structure, R 1 is a hydrogen atom or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom, R 2 is a hydrogen atom or optionally substituted group bonded via a carbon atom or a sulfur atom, or R 1 and R 2 , or R 2 and R 3 are optionally bonded to form an optionally substituted ring structure, or a salt thereof, and a tyrosine kinase inhibitor or an agent for the prophylaxis or treatment of cancer, which contains this compound or a prodrug thereof.

  本发明涉及一种化合物，其表示式为：其中W是C（R1）或N，每个A是可选取代的芳基或杂环基，X1是—NR3—Y1—、—O—、—S—、—SO—、—SO2—或—CHR3—，其中R3是氢原子或可选取代的脂肪烃基，或者R3与A可选地结合形成可选取代的环状结构，R1是氢原子或通过碳原子、氮原子或氧原子键合的可选取代基团，R2是氢原子或通过碳原子或硫原子键合的可选取代基团，或者R1和R2，或者R2和R3可选地键合形成可选取代的环状结构，或其盐，以及含有该化合物或其前药的酪氨酸激酶抑制剂或预防或治疗癌症的药物。
• FUSED HETEROCYCLIC COMPOUND
  申请人：ISHIKAWA Tomoyasu

  公开号：US20090029973A1

  公开（公告）日：2009-01-29

  The present invention relates to a compound represented by the formula: wherein W is C(R 1 ) or N, each A is an optionally substituted aryl group or a heteroaryl group, X 1 is —NR 3 —Y 1 —, —O—, —S—, —SO—, —SO 2 — or —CHR 3 — wherein R 3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group, or R 3 is optionally bonded to A to form an optionally substituted ring structure, R 1 is a hydrogen atom or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom, R 2 is a hydrogen atom or optionally substituted group bonded via a carbon atom or a sulfur atom, or R 1 and R 2 , or R 2 and R 3 are optionally bonded to form an optionally substituted ring structure, or a salt thereof, and a tyrosine kinase inhibitor or an agent for the prophylaxis or treatment of cancer, which contains this compound or a prodrug thereof.

  本发明涉及一种由以下式表示的化合物：其中W为C（R1）或N，每个A为可选择取代的芳基或杂环基，X1为—NR3—Y1—，—O—，—S—，—SO—，—SO2—或—CHR3—，其中R3为氢原子或可选择取代的脂肪烃基，或R3与A结合形成可选择取代的环结构，R1为氢原子或通过碳原子、氮原子或氧原子键合的可选择取代基团，R2为氢原子或通过碳原子或硫原子键合的可选择取代基团，或R1和R2，或R2和R3可选择结合形成可选择取代的环结构，或其盐，以及含有该化合物或其前药的酪氨酸激酶抑制剂或预防或治疗癌症的药剂。
• US7507740B2
  申请人：——

  公开号：US7507740B2

  公开（公告）日：2009-03-24
• US8178543B2
  申请人：——

  公开号：US8178543B2

  公开（公告）日：2012-05-15
• [EN] HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR<br/>[FR] PROTECTION CARDIAQUE PAR ADMINISTRATION D'UN ACTIVATEUR DE PROTÉINE KINASE ACTIVÉE PAR AMP
  申请人：OHTA YOSHIKAZU

  公开号：WO2010036910A1

  公开（公告）日：2010-04-01

  The present invention relates to a method to protect heart of a mammal by administering an AMP-activated protein kinase activator including its salt or prodrug to a mammal, a pharmaceutical composition containing at least the AMPK activator for heart protection, use of the AMPK activator for preparing the pharmaceutical composition for heart protection, a method to activate the AMPK by administering a compound having an activity of activating the AMPK including its salt or prodrug to a mammal, a pharmaceutical composition to activate the AMPK that includes at least the compound having an activity of activating the AMPK, and use of the compound having an activity of activating the AMPK for preparing the pharmaceutical composition.