2-Quinolinecarboxylic acid,1,4-dihydro-4-oxo-7-(phenylmethoxy)- | 130064-03-8

• 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-Quinolinecarboxylic acid,1,4-dihydro-4-oxo-7-(phenylmethoxy)-
• 英文别名: 4-oxo-7-phenylmethoxy-1H-quinoline-2-carboxylic acid
• CAS: 130064-03-8
• 化学式: C₁₇H₁₃NO₄
• 分子量: 295.295
• InChiKey: IBFCOSJQDAGGIU-UHFFFAOYSA-N

物化性质

• 熔点：
  278-279 °C (decomp)
• 沸点：
  502.5±50.0 °C(Predicted)
• 密度：
  1.360±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Quinolinecarboxylic acid,1,4-dihydro-4-oxo-7-(phenylmethoxy)- 在 palladium on activated charcoal 氢气 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4-benzylpiperidine-1-carbonyl)-7-hydroxy-1H-quinolin-4-one
  参考文献：
  名称：

  Kynurenic acid amides as novel NR2B selective NMDA receptor antagonists

  摘要：

  A novel series of kynurenic acid amides, ring-enlarged derivatives of indole-2-carboxamides, was prepared and identified as in vivo active NR2B subtype selective NMDA receptor antagonists. The synthesis and SAR studies are discussed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.033
• 作为产物：
  描述：

  3-苄氧基苯胺 在 sodium hydroxide 作用下， 以 甲醇 、 二苯醚 为溶剂， 反应 2.17h， 生成 2-Quinolinecarboxylic acid,1,4-dihydro-4-oxo-7-(phenylmethoxy)-
  参考文献：
  名称：

  Kynurenic acid amides as novel NR2B selective NMDA receptor antagonists

  摘要：

  A novel series of kynurenic acid amides, ring-enlarged derivatives of indole-2-carboxamides, was prepared and identified as in vivo active NR2B subtype selective NMDA receptor antagonists. The synthesis and SAR studies are discussed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.033

文献信息

• [EN] 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS<br/>[FR] COMPOSES DE 2-AMINOCARBONYL-QUINOLINE UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR DE L'ADENOSINE DIPHOSPHATE DES PLAQUETTES
  申请人：SCHERING AG

  公开号：WO2004052366A1

  公开（公告）日：2004-06-24

  Compounds of formula (I), where m, n, R1, R2, R3, R4 and R6 are described herein, are useful as inhibitors of platelet adenosine diphosphate. Pharmaceutical compositions containing these compounds, methods of using these compounds as antithrombotic agents and processes for synthesizing these compounds are also described herein.

  式（I）中的化合物，其中m、n、R1、R2、R3、R4和R6如本文所述，可用作血小板腺苷二磷酸酶抑制剂。本文还描述了含有这些化合物的药物组合物、使用这些化合物作为抗血栓剂的方法以及合成这些化合物的方法。
• Platelet adenosine diphosphate receptor antagonists
  申请人：Schering Aktiengesellschaft

  公开号：US20030060474A1

  公开（公告）日：2003-03-27

  Compounds of the following formula (I): 1 where a, b, R 1 , R 2 , R 4 and R 6 are described herein, are useful as inhibitors of platelet adenosine diphosphate. Pharmaceutical compositions containing these compounds, methods of using these compounds as antithrombotic agents and processes for synthesizing these compounds are also described herein.

  以下公式（I）的化合物：其中a、b、R1、R2、R4和R6如下所述，可用作抑制血小板腺苷二磷酸的药物。本文还描述了含有这些化合物的药物组合物，使用这些化合物作为抗血栓药物的方法以及合成这些化合物的过程。
• [EN] KYNURENIC ACID AMIDE DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS<br/>[FR] DERIVES AMIDES D'ACIDE KYNURENIQUE UTILISES EN TANT QU'ANTAGONISTES DE RECEPTEURS DE NR2B
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2006010967A1

  公开（公告）日：2006-02-02

  The new kynurenic acid amide derivatives of formula (I): and optical antipodes, racemates and the salts thereof are highly effective and selective antagonists of NMDA receptor, and moreover most of the compounds are selective antagonist of NR2B subtype of NMDA receptor.

  公式(I)的新型酮尿酸酰胺衍生物及其光学对映体、外消旋体和盐类是NMDA受体的高效选择性拮抗剂，而且大多数化合物是NMDA受体NR2B亚型的选择性拮抗剂。
• Kynurenic Acid Amide Derivatives as Nr2b Receptor Antagoni
  申请人：Borza István

  公开号：US20090012118A1

  公开（公告）日：2009-01-08

  The new kynurenic acid amide derivatives of formula (I): and optical antipodes, racemates and the salts thereof are highly effective and selective antagonists of NMDA receptor, and moreover most of the compounds are selective antagonist of NR2B subtype of NMDA receptor.

  公式（I）的新犬尿酸酰胺衍生物及其光学对映体，外消旋体和盐，均是高效且选择性的NMDA受体拮抗剂，而且大多数化合物是NMDA受体NR2B亚型的选择性拮抗剂。
• PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS
  申请人：Schering Aktiengesellschaft

  公开号：EP1412349A2

  公开（公告）日：2004-04-28