3-cyano-6-methoxy-4-oxo-1,4-dihydro-7-quinolinyl trifluoromethanesulfonate | 364793-71-5

• 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: 3-cyano-6-methoxy-4-oxo-1,4-dihydro-7-quinolinyl trifluoromethanesulfonate
• 英文别名: Methanesulfonic acid, 1,1,1-trifluoro-, 3-cyano-1,4-dihydro-6-methoxy-4-oxo-7-quinolinyl ester；(3-cyano-6-methoxy-4-oxo-1H-quinolin-7-yl) trifluoromethanesulfonate
• CAS: 364793-71-5
• 化学式: C₁₂H₇F₃N₂O₅S
• 分子量: 348.259
• InChiKey: ITYNGXUURJZHOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3-cyano-6-methoxy-4-oxo-1,4-dihydro-7-quinolinyl trifluoromethanesulfonate 在 四(三苯基膦)钯 、 吡啶盐酸盐 、 碳酸氢钠 、 三氯氧磷 作用下， 以 乙二醇乙醚 、 乙二醇二甲醚 为溶剂， 生成 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-{3-[2-(4-morpholinyl) ethyl]phenyl }-3-quinolinecarbonitrile
  参考文献：
  名称：

  Substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles as Src kinase inhibitors

  摘要：

  A series of substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles has been prepared as Src kinase inhibitors. Optimal activity is observed with compounds that have basic amines attached via the para position of the 7-phenyl ring, and a hydrogen atom at the C-6 position. The best compounds are low nanomolar inhibitors of Src kinase, and have potent activity against Src-transformed fibroblast cells. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00577-2
• 作为产物：
  描述：

  香草酸甲酯 在 吡啶 、 硝酸 、 三氯化硼 、 铁粉 、 potassium carbonate 、 氯化铵 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-cyano-6-methoxy-4-oxo-1,4-dihydro-7-quinolinyl trifluoromethanesulfonate
  参考文献：
  名称：

  Substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles as Src kinase inhibitors

  摘要：

  A series of substituted 4-anilino-7-phenyl-3-quinolinecarbonitriles has been prepared as Src kinase inhibitors. Optimal activity is observed with compounds that have basic amines attached via the para position of the 7-phenyl ring, and a hydrogen atom at the C-6 position. The best compounds are low nanomolar inhibitors of Src kinase, and have potent activity against Src-transformed fibroblast cells. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00577-2

文献信息

• 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors
  申请人：American Home Products Corporation

  公开号：US20020026052A1

  公开（公告）日：2002-02-28

  This invention provides compounds of Formula (I), having the structure 1 where T, Z, X, A, R 1 , R 2a , R 2b , R 2c , R 3 , R 4 , and n are defined herein, or a pharmaceutically acceptable salt thereof which are useful as antineoplastic agents and in the treatment of osteoporosis and polycystic kidney disease.

  这项发明提供了具有结构的化合物（I）的公式， 其中T、Z、X、A、R 1 、R 2a 、R 2b 、R 2c 、R 3 、R 4 和n在此处定义，或其药学上可接受的盐，这些化合物可用作抗肿瘤药物，并用于骨质疏松症和多囊肾病的治疗。
• [EN] 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS<br/>[FR] 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES ET 3-CYANO-1,7-NAPHTHYRIDINES UTILISEES COMME INHIBITEURS DE PROTEINEKINASE
  申请人：AMERICAN HOME PROD

  公开号：WO2001072711A1

  公开（公告）日：2001-10-04

  Compounds of Formula (I), having the structure or a pharmaceutically salt thereof are useful as antineoplastic agents and in the treatment of osteoporosis and polycystic kidney disease.

  具有结构式（I）或其药物盐的化合物在抗肿瘤药物和治疗骨质疏松症和多囊肾病方面是有用的。
• 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS
  申请人：Wyeth

  公开号：EP1268431A1

  公开（公告）日：2003-01-02
• 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors
  申请人：Wyeth

  公开号：US20040176602A1

  公开（公告）日：2004-09-09

  This invention provides compounds of Formula (I), having the structure 1 where T, Z, X, A, R 1 , R 2a , R 2b , R 2c , R 3 , R 4 , and n are defined herein, or a pharmaceutically acceptable salt thereof which are useful as antineoplastic agents and in the treatment of osteoporosis and polycystic kidney disease.
• US6521618B2
  申请人：——

  公开号：US6521618B2

  公开（公告）日：2003-02-18