tert-butyl 4-(5-pyrimidin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate | 893424-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 4-(5-pyrimidin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
• CAS: 893424-23-2
• 化学式: C₁₆H₂₂N₆O₂
• 分子量: 330.39
• InChiKey: HALOZFVJTZOKGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  96.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(5-pyrimidin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate 在 盐酸 、 甲醇 、 三乙酰氧基硼氢化钠 、 溶剂黄146 、 三乙胺 、 肼 作用下， 以 1,4-二氧六环 、 N-甲基吡咯烷酮 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 2.08h， 生成 5-hydrazino-3-phenyl-2-(4-{[4-(5-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}phenyl)-1,6-naphthyridine
  参考文献：
  名称：

  WO2006/135627

  摘要：

  公开号：
• 作为产物：
  描述：

  1-Boc-4-哌啶甲酸 在 N,N'-羰基二咪唑 作用下， 以 二氯甲烷 、 正丁醇 为溶剂， 反应 49.0h， 生成 tert-butyl 4-(5-pyrimidin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  WO2006/135627

  摘要：

  公开号：

文献信息

• Inhibitors of Akt Activity
  申请人：Arruda Jeannie M.

  公开号：US20080287457A1

  公开（公告）日：2008-11-20

  The present invention is directed to compounds which contain substituted naphthyridines 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. These substituted naphthyridines have unexpected advantageous properties when compared to other naphthyridines reported in PCT publication WO2003/086394, such unexpected advantageous properties may include increased cellular potency/solubility, greater selectivity, enhanced pharmacokinetic properties, lack of off target activity and so on.

  本发明涉及含有取代萘啶的化合物，其抑制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以及治疗癌症的方法，包括给予本发明化合物的治疗方法。这些取代萘啶与PCT出版物WO2003/086394中报告的其他萘啶相比具有意外的优点，这些意外的优点可能包括增强的细胞效力/溶解度、更大的选择性、增强的药代动力学性质、缺乏非靶标活性等。
• Inhibitors of akt activtiy
  申请人：Armstrong Donna J.

  公开号：US20100222321A1

  公开（公告）日：2010-09-02

  The instant invention provides for substituted naphthyridine compounds that inhibit Akt activity. In particular, the compounds disclosed selectively inhibit one or two of the Akt isoforms. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting Akt activity by administering the compound to a patient in need of treatment of cancer.

  本发明提供了一种取代萘啶化合物，其抑制Akt活性。特别地，所披露的化合物选择性地抑制一种或两种Akt同工酶。本发明还提供了包含这种抑制剂化合物的组合物和通过将该化合物用于需要癌症治疗的患者中来抑制Akt活性的方法。
• Inhibitors of Akt activity
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07910561B2

  公开（公告）日：2011-03-22

  The present invention is directed to compounds which contain substituted naphthyridines 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. These substituted naphthyridines have unexpected advantageous properties when compared to other naphthyridines reported in PCT publication WO2003/086394, such unexpected advantageous properties may include increased cellular potency/solubility, greater selectivity, enhanced pharmacokinetic properties, lack of off target activity and so on.

  本发明涉及含有取代萘啶的化合物，其能够抑制Akt酶的活性，Akt酶是一种丝氨酸/苏氨酸蛋白激酶。本发明还涉及包含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。与PCT出版物WO2003/086394中报道的其他萘啶相比，这些取代萘啶具有意外的优势特性，这些意外的优势特性可能包括增加的细胞效力/溶解度，更强的选择性，增强的药代动力学特性，缺乏非特异性作用等。
• [EN] INHIBITORS OF AKT ACTIVITY<br/>[FR] INHIBITEURS D'ACTIVITE AKT
  申请人：MERCK & CO INC

  公开号：WO2006065601A3

  公开（公告）日：2007-08-09
• The design and synthesis of potent and cell-active allosteric dual Akt 1 and 2 inhibitors devoid of hERG activity
  作者：Tony Siu、Yiwei Li、Johnny Nagasawa、Jun Liang、Lida Tehrani、Peter Chua、Raymond E. Jones、Deborah Defeo-Jones、Stanley F. Barnett、Ronald G. Robinson

  DOI：10.1016/j.bmcl.2008.05.084

  日期：2008.7

  This letter details the attenuation of hERG in a class of Akt inhibitors through heteroatom insertions into aromatic rings. The development of a cell-active dual Akt 1 and 2 inhibitors devoid of hERG activity is discussed using structure-activity relationships. (C) 2008 Elsevier Ltd. All rights reserved.