(2-Phenylquinolin-3-yl) trifluoromethanesulfonate | 616870-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (2-Phenylquinolin-3-yl) trifluoromethanesulfonate
• CAS: 616870-16-7
• 化学式: C₁₆H₁₀F₃NO₃S
• 分子量: 353.322
• InChiKey: AQVQIPDCQFIHAY-UHFFFAOYSA-N

物化性质

• 沸点：
  461.7±45.0 °C(Predicted)
• 密度：
  1.451±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2-Phenylquinolin-3-yl) trifluoromethanesulfonate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 MP-BH₃(CN) 、 caesium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.17h， 生成 1-(1-{[4-(2-phenylquinolin-3-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
  参考文献：
  名称：

  Discovery of 2,3,5-trisubstituted pyridine derivatives as potent Akt1 and Akt2 dual inhibitors

  摘要：

  This letter describes the discovery of a novel series of dual Akt1/Akt2 kinase inhibitors, based on a 2,3,5-trisubstituted pyridine scaffold. Compounds from this series, which contain a 5-tetrazolyl moiety, exhibit more potent inhibition of Akt2 than Akt1. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.062
• 作为产物：
  描述：

  三氟甲磺酸酐 、 2-苯基喹啉-3-醇 以 吡啶 为溶剂， 以90%的产率得到(2-Phenylquinolin-3-yl) trifluoromethanesulfonate
  参考文献：
  名称：

  Discovery of 2,3,5-trisubstituted pyridine derivatives as potent Akt1 and Akt2 dual inhibitors

  摘要：

  This letter describes the discovery of a novel series of dual Akt1/Akt2 kinase inhibitors, based on a 2,3,5-trisubstituted pyridine scaffold. Compounds from this series, which contain a 5-tetrazolyl moiety, exhibit more potent inhibition of Akt2 than Akt1. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.062

文献信息

• 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：EP1496896A1

  公开（公告）日：2005-01-19
• EP1496896A4
  申请人：——

  公开号：EP1496896A4

  公开（公告）日：2007-10-31
• US7223738B2
  申请人：——

  公开号：US7223738B2

  公开（公告）日：2007-05-29
• [EN] INHIBITORS OF AKT ACTIVITY<br/>[FR] INHIBITEURS DE L'ACTIVITE AKT
  申请人：MERCK & CO INC

  公开号：WO2003086394A1

  公开（公告）日：2003-10-23

  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.