2-chloro-6-(4-{[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl}phenyl)-5-phenylnicotinonitrile | 791850-99-2

• 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: 2-chloro-6-(4-{[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl}phenyl)-5-phenylnicotinonitrile
• 英文别名: 2-chloro-6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
• CAS: 791850-99-2
• 化学式: C₃₁H₂₅ClFN₅
• 分子量: 522.024
• InChiKey: DYYTXQGXQKKPBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  68.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-chloro-6-(4-{[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl}phenyl)-5-phenylnicotinonitrile 、 甲脒 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-(4-{[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl}phenyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Rapid assembly of diverse and potent allosteric Akt inhibitors

  摘要：

  This paper describes the rapid assembly of four different classes of potent Akt inhibitors from a common intermediate. Among them, a pyridopyrimidine series displayed the best intrinsic and cell potency against Akt1 and Akt2. This series also showed a promising pharmacokinetic pro. le and excellent selectivity over other closely related kinases. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.10.023
• 作为产物：
  描述：

  C₁₉H₁₂BrClN₂ 、 5-氟-2-哌啶-4-基-1H-苯并咪唑 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2-chloro-6-(4-{[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl}phenyl)-5-phenylnicotinonitrile
  参考文献：
  名称：

  Rapid assembly of diverse and potent allosteric Akt inhibitors

  摘要：

  This paper describes the rapid assembly of four different classes of potent Akt inhibitors from a common intermediate. Among them, a pyridopyrimidine series displayed the best intrinsic and cell potency against Akt1 and Akt2. This series also showed a promising pharmacokinetic pro. le and excellent selectivity over other closely related kinases. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.10.023

文献信息

• Inhibitors of akt activity
  申请人：Bilodeau T Mark

  公开号：US20060205765A1

  公开（公告）日：2006-09-14

  The present invention is directed to compounds which contain a five-membered heterocyclic ring fused to a substituted pyridine moiety 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，其包含一个五元杂环环并到一个取代吡啶基团上，能够抑制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，并且涉及使用本发明化合物治疗癌症的方法。
• Inhibitors of Akt activity
  申请人：Merck & Co., Inc.

  公开号：US07638530B2

  公开（公告）日：2009-12-29

  The present invention is directed to compounds which contain a five-membered heterocyclic ring fused to a substituted pyridine moiety 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.

  本发明涉及一种含有五元杂环环并取代吡啶基团的化合物，该化合物抑制Akt，一种丝氨酸/苏氨酸蛋白激酶的活性。本发明还涉及含有本发明化合物的化疗组合物以及使用本发明化合物治疗癌症的方法。
• INHIBITORS OF AKT ACTIVITY
  申请人：Merck & Co., Inc.

  公开号：EP1620095A2

  公开（公告）日：2006-02-01
• EP1620095A4
  申请人：——

  公开号：EP1620095A4

  公开（公告）日：2009-04-01
• US7579355B2
  申请人：——

  公开号：US7579355B2

  公开（公告）日：2009-08-25