4-amino-4'-chlorobiphenyl-3-carboxylic acid methyl ester | 946604-96-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-amino-4'-chlorobiphenyl-3-carboxylic acid methyl ester
• 英文别名: methyl 2-amino-5-(4-chlorophenyl)benzoate
• CAS: 946604-96-2
• 化学式: C₁₄H₁₂ClNO₂
• 分子量: 261.708
• InChiKey: GPZGSWKKIMGQCD-UHFFFAOYSA-N

物化性质

• 沸点：
  402.6±35.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-amino-4'-chlorobiphenyl-3-carboxylic acid methyl ester 在 sodium methylate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 xylene 为溶剂， 生成 8-(4-{[6-(4-Chloro-phenyl)-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carbonyl]-amino}-phenoxy)-octanoic acid
  参考文献：
  名称：

  Design, synthesis and In vitro evaluation of potent, novel, small molecule inhibitors of plasminogen activator inhibitor-1

  摘要：

  We have synthesized and evaluated a series of tetramic acid-based and hydroxvquinolinone-based inhibitors of plasminogen activator inhibitor-1 (PAI-1). These studies resulted in the identification of several compounds which showed excellent potency against PAI-1. The design, synthesis and SAR of these compounds are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00078-1
• 作为产物：
  描述：

  4-氯苯硼酸 、 5-溴氨基苯甲酸甲酯 在 四(三苯基膦)钯 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 生成 4-amino-4'-chlorobiphenyl-3-carboxylic acid methyl ester
  参考文献：
  名称：

  WO2007/93363

  摘要：

  公开号：

文献信息

• NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：SCHWINK Lothar

  公开号：US20090082339A1

  公开（公告）日：2009-03-26

  The invention relates to azacyclyl-substituted arylthienopyrimidinones and their derivatives, and their physiologically tolerated salts and physiologically functional derivatives, their preparation, medicaments comprising at least one azacyclyl-substituted arylthienopyrimidinone of the invention or its derivative, and the use of the azacyclyl-substituted arylthienopyrimidinones of the invention and their derivatives as MCH antagonists.

  本发明涉及氮杂环取代芳基噻唑嘧啶酮及其衍生物、其生理上耐受的盐和生理上功能性衍生物、其制备方法、包含本发明中至少一种氮杂环取代芳基噻唑嘧啶酮或其衍生物的药物以及将本发明中的氮杂环取代芳基噻唑嘧啶酮及其衍生物用作MCH拮抗剂的用途。
• Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments
  申请人：Schwink Lothar

  公开号：US08828991B2

  公开（公告）日：2014-09-09

  The invention relates to azacyclyl-substituted arylthienopyrimidinones and their derivatives, of the Formula (I); and their physiologically tolerated salts and physiologically functional derivatives, their preparation, medicaments comprising at least one azacyclyl-substituted arylthienopyrimidinone according to Formula (I) or its derivative, and the use of the azacyclyl-substituted arylthienopyrimidinones according to Formula (I) and their derivatives as MCH antagonists.

  该发明涉及一种含有氮杂环取代的芳基噻唑嘧啶酮及其衍生物，其化学式为(I)；及其生理上可耐受的盐和生理上功能性衍生物，其制备方法，包含至少一种符合化学式(I)或其衍生物的氮杂环取代的芳基噻唑嘧啶酮的药物，以及将符合化学式(I)及其衍生物的氮杂环取代的芳基噻唑嘧啶酮用作MCH受体拮抗剂的用途。
• NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：Sanofi-Aventis

  公开号：EP1986646A1

  公开（公告）日：2008-11-05
• US8828991B2
  申请人：——

  公开号：US8828991B2

  公开（公告）日：2014-09-09
• [EN] NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS<br/>[FR] NOUVELLES ARYLTHIÉNOPYRIMIDINONES SUBSTITUÉES PAR AZACYCLYLE, LEUR PROCÉDÉ DE SYNTHÈSE ET LEUR EMPLOI EN TANT QUE MÉDICAMENTS
  申请人：SANOFI AVENTIS

  公开号：WO2007093363A1

  公开（公告）日：2007-08-23

  [EN] The invention relates to azacyclyl-substituted arylthienopyrimidinones and their derivatives of formula (I), and their physiologically tolerated salts and physiologically functional derivatives, their preparation, medicaments comprising at least one azacyclyl-substituted arylthienopyrimidinone of the invention or its derivative, and the use of the azacyclyl-substituted aryithienopyrimidinones of the invention and their derivatives as MCH antagonists.
  [FR] La présente invention concerne des arylthiénopyrimidinones substituées par azacyclyle ainsi que leurs dérivés de formule (I), et leurs sels de qualité physiologique et leurs dérivés fonctionnels au niveau physiologique, leur synthèse, des médicaments comprenant au moins une arylthiénopyrimidinone substituée par azacyclyle selon l'invention ou son dérivé, et l'emploi des arylthiénopyrimidinones substituées par azacyclyle selon l'invention et de leurs dérivés en tant qu'antagonistes de la MCH.