1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 791852-38-5

• 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: 1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• 英文别名: 1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidine-4-amine；1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
• CAS: 791852-38-5
• 化学式: C₁₀H₁₄N₆
• 分子量: 218.261
• InChiKey: VTVXDLZJUJQCPO-UHFFFAOYSA-N

物化性质

• 沸点：
  453.1±45.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 、 6-[4-(Bromomethyl)phenyl]-5-phenylnicotinonitrile 在 N,N-二异丙基乙胺 作用下， 生成 6-(4-{[4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl}phenyl)-5-phenylnicotinonitrile
  参考文献：
  名称：

  Optimization of 2,3,5-trisubstituted pyridine derivatives as potent allosteric Akt1 and Akt2 inhibitors

  摘要：

  This letter shows inhibitor SAR on a pyridine series of allosteric Akt inhibitors to optimize enzymatic and cellular potency. We have optimized 2,3,5-trisubstituted pyridines to give potent Akt1 and Akt2 inhibitors in both enzyme and cell based assays. In addition, we will also highlight the pharmacokinetic pro. le of an optimized inhibitor that has low clearance and long half-life in dogs. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.040
• 作为产物：
  描述：

  4-amino-1-piperidinium-4-yl-1H-pyrazolo[3,4-d]pyrimidin-2-ium dichloride 在 Dowex 1X₂-400 ion-exchange resin (-OH form). 作用下， 以 水 为溶剂， 生成 1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  参考文献：
  名称：

  [EN] INHIBITORS OF AKT ACTIVITY
  [FR] INHIBITEURS D'ACTIVITE AKT

  摘要：

  公开号：

  WO2006065601A3

文献信息

• Inhibitors of Akt Activity
  申请人：Bilodeau T. Mark

  公开号：US20070254901A1

  公开（公告）日：2007-11-01

  The present invention is directed to compounds which contain substituted 5-deazapteridine moieties which inhibit the activity of Akt, a serine/threonine protein kinase. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for treating cancer comprising administration of the compounds of the invention.

  本发明涉及含有取代的5-脱氨嘌呤基团的化合物，该化合物抑制Akt蛋白激酶的活性。该发明还涉及含有本发明化合物的化疗组合物以及治疗癌症的方法，包括给予本发明化合物的治疗方法。
• Inhibitors of akt activity
  申请人：Bilodeau T Mark

  公开号：US20070043001A1

  公开（公告）日：2007-02-22

  The present invention is directed to compounds which contain a substituted pyridine moeity which inhibit the activity of Akt, a serine/threonine protein kinase. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for treating cancer comprising administration of the compounds of the invention.

  本发明涉及化合物，其中包含取代的吡啶基团，可抑制Akt蛋白激酶的活性。本发明还涉及含有本发明化合物的化疗组合物和治疗癌症的方法，包括给予本发明化合物的治疗方法。
• Inhibitors of Akt activity
  申请人：Merck & Co., Inc.

  公开号：US07544677B2

  公开（公告）日：2009-06-09

  The present invention is directed to compounds which contain substituted 5-deazapteridine moieties which inhibit the activity of Akt, a serine/threonine protein kinase. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for treating cancer comprising administration of the compounds of the invention.

  本发明涉及化合物，其中包含取代的5-脱氨嘧啶基团，可抑制Akt，一种丝氨酸/苏氨酸蛋白激酶的活性。本发明进一步涉及包含本发明化合物的化疗组合物，以及使用本发明化合物治疗癌症的方法。
• Fused pyrimidines
  申请人：Vennemann Matthias

  公开号：US08957064B2

  公开（公告）日：2015-02-17

  Compounds of formula (I) or an N-oxide, a salt, a tautomer or a stereoisomer of said compound, or a salt of said N-oxide, tautomer or stereoisomer, wherein ring B and the pyrimidine to which it is fused, R4, R5, R6, R7, m and n have the meanings as given in the description and the claims, which are effective inhibitors of the Pi3K/Akt pathway, processes for their production and their use as pharmaceuticals.

  式(I)的化合物或其N-氧化物、盐、互变异构体或立体异构体的盐，或其N-氧化物、互变异构体或立体异构体的盐，其中环B和其融合的嘧啶基团R4、R5、R6、R7、m和n的含义如说明书和权利要求中所述，这些化合物是有效的Pi3K/Akt途径抑制剂，其制备过程以及作为药物的用途。
• FUSED PYRIMIDINES
  申请人：Beckers Barbara

  公开号：US20130317002A1

  公开（公告）日：2013-11-28

  Compounds of formula (I) or an N-oxide, a salt, a tautomer or a stereoisomer of said compound, or a salt of said N-oxide, tautomer or stereoisomer, wherein ring B and the pyrimidine to which it is fused, R4, R5, R6, R7, m and n have the meanings as given in the description and the claims, which are effective inhibitors of the Pi3K/Akt pathway, processes for their production and their use as pharmaceuticals.

  式(I)的化合物或其N-氧化物、盐、互变异构体或立体异构体的盐或N-氧化物、互变异构体或立体异构体，其中环B和与其融合的嘧啶基团R4、R5、R6、R7、m和n的含义如说明书和权利要求所述，它们是有效的Pi3K/Akt途径抑制剂，其制备方法及其作为药物的用途。