3-[1-phenyl-4-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenol | 1174765-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[1-phenyl-4-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenol
• 英文别名: 3-(1-phenyl-4-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol；3-[4-(oxan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]phenol
• CAS: 1174765-17-3
• 化学式: C₂₂H₂₀N₄O₂
• 分子量: 372.426
• InChiKey: FWNNYNPGUOAOCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  73.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-[4-(3,6-dihydro-2H-pyran-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenol 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 3-[1-phenyl-4-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenol
  参考文献：
  名称：

  1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES

  摘要：

  这项发明涉及1H-吡唑并[3,4-d]嘧啶，嘌呤，7H-嘌呤-8(9H)-酮，3H-[1,2,3]三唑并[4,5-d]嘧啶和噻吩[3,2-d]嘧啶化合物，包含这些化合物的组合物，以及制备和使用这些化合物的方法。

  公开号：

  US20090192176A1

文献信息

• Discovery of 3,6-dihydro-2H-pyran as a morpholine replacement in 6-aryl-1H-pyrazolo[3,4-d]pyrimidines and 2-arylthieno[3,2-d]pyrimidines: ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR)
  作者：Joshua Kaplan、Jeroen C. Verheijen、Natasja Brooijmans、Lourdes Toral-Barza、Irwin Hollander、Ker Yu、Arie Zask

  DOI：10.1016/j.bmcl.2009.11.050

  日期：2010.1

  The morpholine hinge-region binding group on a series of pyrazolopyrimidine and thienopyrimidine mammalian target of rapamycin ( mTOR) inhibitors was replaced with 3,6-dihydro-2H-pyran (DHP), giving compounds of equivalent potency and selectivity versus PI3K. These results establish the DHP group as a hinge-region binding motif for the preparation of highly potent and selective mTOR inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.
• KOMBINATIONSTHERAPIE SUBSTITUIERTER OXAZOLIDINONE
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2099453A2

  公开（公告）日：2009-09-16
• [DE] KOMBINATIONSTHERAPIE SUBSTITUIERTER OXAZOLIDINONE<br/>[EN] COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES<br/>[FR] THÉRAPIE COMBINATOIRE À BASE D'OXAZOLIDINONE SUBSTITUÉE
  申请人：BAYER HEALTHCARE AG

  公开号：WO2008052671A2

  公开（公告）日：2008-05-08

  [EN] The present invention relates to combinations of A) oxazolidinones of the formula (I) with B) acetylsalicylic acid (aspirin) and C) an ADP receptor antagonist, in particular P₂Y₁₂ purino receptor blocker, a process for producing these combinations and the use thereof as medicaments, in particular for the prophylaxis and/or treatment of thromboembolic disorders.
  [FR] La présente invention concerne des combinaisons A) d'oxazolidinones de formule (I) avec B) de l'acide acétylsalicilique (aspirine) et C) un antagoniste du récepteur ADP, notamment un bloqueur du purinorécepteur P₂Y₁₂, un procédé de fabrication de ces combinaisons et leur utilisation en tant que médicament, notamment pour la prophylaxie et/ou le traitement de maladies thromboemboliques.
  [DE] Die vorliegende Erfindung betrifft Kombinationen von A) Oxazolidinonen der Formel (I) mit B) Acetylsalizylsäure (Aspirin) und C) einem ADP Rezeptor Antagonist, insbesondere P₂Y₁₂ Purinorezeptor Blocker, ein Verfahren zur Herstellung dieser Kombinationen und ihre Verwendung als Arzneimittel, insbesondere zur Prophylaxe und/oder Behandlung von thromboembolischen Erkrankungen.
• [EN] 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES<br/>[FR] COMPOSÉS DE 1H-PYRAZOLO[3,4-D]PYRIMIDINE, DE PURINE, DE 7H-PURINE-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE ET DE THIÉNO[3,2-D]PYRIMIDINE, LEUR APPLICATION EN TANT QU'INHIBITEURS DE LA KINASE MTOR ET DE LA PI3 KINASE ET LEUR SYNTHÈSE
  申请人：WYETH CORP

  公开号：WO2009097490A1

  公开（公告）日：2009-08-06

  The invention relates to 1H-pyrazolo[3,4-d]pyrimidine, purine, 7H-purin-8(9H)-one, 3H-[1,2,3]triazolo[4,5-d]pyrimidine, and thieno[3,2-d]pyrimidine compounds, compositions comprising the compounds, and methods for making and using the compounds.