N-[2-(diethylamino)ethyl]-2-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-3-phenylquinoxaline-6-carboxamide | 612847-43-5

• 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: N-[2-(diethylamino)ethyl]-2-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-3-phenylquinoxaline-6-carboxamide
• 英文别名: N-[2-(diethylamino)ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide
• CAS: 612847-43-5
• 化学式: C₄₀H₄₃N₇O₂
• 分子量: 653.827
• InChiKey: PKOLTBBFTJODIG-UHFFFAOYSA-N

物化性质

• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  49
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,N-二乙基乙二胺 、 3,4-二氨基苯甲酸 、 1-[4-[[4-(2-氧代-3H-苯并咪唑-1-基)-1-哌啶基]甲基]苯基]-2-苯基-乙烷-1,2-二酮 在 溶剂黄146 、 PS-DCC 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.17h， 生成 N-[2-(diethylamino)ethyl]-3-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-2-phenylquinoxaline-6-carboxamide 、 N-[2-(diethylamino)ethyl]-2-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-3-phenylquinoxaline-6-carboxamide
  参考文献：
  名称：

  Development of potent, allosteric dual Akt1 and Akt2 inhibitors with improved physical properties and cell activity

  摘要：

  This letter describes the development of potent, allosteric dual Akt1 and Akt2 inhibitors with improved aqueous solubility (similar to 18 mg/mL) that translates into enhanced cell activity and caspase-3 induction. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.015

文献信息

• Combination therapy
  申请人：——

  公开号：US20040102360A1

  公开（公告）日：2004-05-27

  The present invention relates to methods of treating cancer using a combination of at least two Akt inhibitors or a compound which is an inhibitor of Akt and an inhibitor of a protein kinase, which methods comprise administering to a mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound(s) which are inhibitors of Akt and compound(s) which are inhibitors of protein kinases. The invention also relates to methods of preparing such compositions.

  本发明涉及使用至少两种Akt抑制剂的组合或一种同时是Akt抑制剂和蛋白激酶抑制剂的化合物来治疗癌症的方法，该方法包括向哺乳动物施用来自以下组合中选择的至少两种治疗剂的量，该组合包括Akt抑制剂和蛋白激酶抑制剂。该发明还涉及制备这种组合物的方法。
• Method of treating cancer
  申请人：Barnett F Stanley

  公开号：US20060142178A1

  公开（公告）日：2006-06-29

  The present invention is directed to a method of treating cancer which comprises administration of a compound which selectively inhibits the activity of one or two of the isoforms of Akt, a serine/threonine protein kinase. The invention is particularly directed to the method wherein the compound is dependent on the presence of the pleckstrin homology domain of Akt for its inhibitory activity.

  本发明涉及一种治疗癌症的方法，包括给予一种选择性抑制丝氨酸/苏氨酸蛋白激酶Akt中的一种或两种异构体活性的化合物。本发明特别涉及该方法中，该化合物依赖于Akt的pleckstrin同源结构域存在以发挥其抑制活性。
• Inhibitors of akt activity
  申请人：Bilodeau T. Mark

  公开号：US20050222155A1

  公开（公告）日：2005-10-06

  The present invention is directed to compounds comprising a 2,3-diphenylquinoxaline 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，其中包含2,3-二苯基喹喔啉基团，该基团能够抑制Akt，一种丝氨酸/苏氨酸蛋白激酶的活性。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方法。
• Inhibitors of Akt activity
  申请人：Merck & Co., Inc.

  公开号：US07223738B2

  公开（公告）日：2007-05-29

  The present invention is directed to compounds comprising a 2,3-diphenylquinoxaline 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.

  本发明涉及一种化合物，其中包含2,3-二苯基喹啉基团，可抑制Akt，一种丝氨酸/苏氨酸蛋白激酶的活性。本发明还涉及含有该发明化合物的化疗组合物以及治疗癌症的方法，包括给予该发明化合物。
• INHIBITORS OF AKT ACTIVITY
  申请人：Merck & Co., Inc.

  公开号：EP1496896A1

  公开（公告）日：2005-01-19