N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-2-(3-{[2-(methylsulfonyl)ethyl]amino}propyl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-2-(3-{[2-(methylsulfonyl)ethyl]amino}propyl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine
• 英文别名: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-[3-(2-methylsulfonylethylamino)propyl]pyrazolo[4,3-d]pyrimidin-7-amine
• 化学式: C₂₄H₂₆ClFN₆O₃S
• 分子量: 533.026
• InChiKey: LQYQHJHZHGPIFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-{3-[7-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-2H-pyrazolo[4,3-d]pyrimidin-2-yl]propyl}-N-[2-(methylsulfonyl)ethyl]-2-nitrobenzenesulfonamide 、 2-巯基乙醇 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-2-(3-{[2-(methylsulfonyl)ethyl]amino}propyl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine
  参考文献：
  名称：

  FUSED HETEROCYCLIC COMPOUND

  摘要：

  公开号：

  EP1752457B1

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。
• 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.
• [EN] PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION<br/>[FR] PRÉVENTION ET TRAITEMENT D'UN CANCER AVEC MUTATION DU GÈNE RAS
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010036917A1

  公开（公告）日：2010-04-01

  The present invention relates to a method to prevent or treat cancer with RAS gene mutation by administering a EGFR/ErbB2 tyrosine kinase inhibitor, which has grater effect than conventional EGFR/ErbB2 tyrosine kinase inhibitors, or the salt or prodrug thereof to a mammal, a pharmaceutical composition containing at least the EGFR/ErbB2 tyrosine kinase inhibitor for treating or preventing cancer with RAS gene mutation, use of the EGFR/ErbB2 tyrosine kinase inhibitor for preparing the pharmaceutical composition for treating or preventing cancer with RAS gene mutation.