4'-fluoro-3-nitro-biphenyl-4-carboxylic acid | 669002-37-3

• 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'-fluoro-3-nitro-biphenyl-4-carboxylic acid
• 英文别名: 4-(4-Fluorophenyl)-2-nitrobenzoic acid
• CAS: 669002-37-3
• 化学式: C₁₃H₈FNO₄
• 分子量: 261.209
• InChiKey: JMMQMFGFGFLREH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4'-fluoro-3-nitro-biphenyl-4-carboxylic acid 、 O-叔丁基-L-苏氨酸甲酯盐酸盐 在 二乙基异丙基胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl O-(1,1-dimethylethyl)-N-[(4'-fluoro-3-nitro-4-biphenylyl)carbonyl]-L-threoninate
  参考文献：
  名称：

  Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy

  摘要：

  Key binding interactions of the anthranilimide based glycogen phosphorylase a (GPa) inhibitor 2 from X-ray crystallography studies are described. This series of compounds bind to the AMP site of GP. Using the binding information the core and the phenyl urea moieties were optimized. This work culminated in the identification of compounds with single nanomolar potency as well as in vivo efficacy in a diabetic model.

  DOI：

  10.1016/j.bmcl.2008.12.085
• 作为产物：
  描述：

  Methyl 4'-fluoro-3-nitro-4-biphenylcarboxylate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4'-fluoro-3-nitro-biphenyl-4-carboxylic acid
  参考文献：
  名称：

  Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy

  摘要：

  Key binding interactions of the anthranilimide based glycogen phosphorylase a (GPa) inhibitor 2 from X-ray crystallography studies are described. This series of compounds bind to the AMP site of GP. Using the binding information the core and the phenyl urea moieties were optimized. This work culminated in the identification of compounds with single nanomolar potency as well as in vivo efficacy in a diabetic model.

  DOI：

  10.1016/j.bmcl.2008.12.085

文献信息

• New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20040242572A1

  公开（公告）日：2004-12-02

  The present invention relates to carboxamide compounds of general formula I 1 wherein the groups and residues A, B, W, X, Y, Z, R 1 , R 2 , R 3 and k have the meanings given in claim 1. Moreover the invention relates to process for preparing the above mentioned carboxamides as well as pharmaceutical compositions containing at least one carboxamide according to the invention. In view of their MCH-receptor antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia and diabetes.

  本发明涉及具有通式I的羧酰胺化合物 1 其中，A、B、W、X、Y、Z、R 1 、R 2 、R 3 和k的含义如权利要求1中所述。此外，本发明还涉及制备上述羧酰胺的方法以及含有至少一种根据本发明的羧酰胺的药物组合物。由于它们对MCH受体的拮抗活性，根据本发明的药物组合物适合用于治疗代谢紊乱和/或饮食紊乱，特别是肥胖症、厌食症、暴食症、糖尿病。
• Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof
  申请人：Evans Karen

  公开号：US20070249670A1

  公开（公告）日：2007-10-25

  The invention relates to glycogen phosphorylase inhibitor compounds, pharmaceutical compositions of these compounds, methods of treatment using the pharmaceutical compositions to treat diabetes, conditions associated with diabetes, and/or tissue ischemia, including myocardial ischemia, and processes for making the compounds.

  本发明涉及糖原磷酸化酶抑制剂化合物、这些化合物的药物组合物、使用这些药物组合物治疗糖尿病、与糖尿病相关的疾病和/或组织缺血，包括心肌缺血的方法，以及制备这些化合物的过程。
• NEUE CARBONS UREAMID-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER W IRKUNG, DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL UND VERFAHREN ZU IHRER HERSTELLUNG
  申请人：BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG

  公开号：EP1534689A1

  公开（公告）日：2005-06-01
• GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1812383A1

  公开（公告）日：2007-08-01
• [DE] NEUE CARBONSÄUREAMID-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG, DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL UND VERFAHREN ZU IHRER HERSTELLUNG<br/>[EN] NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF<br/>[FR] NOUVEAUX COMPOSES CARBOXAMIDE EXERCANT UNE ACTION ANTAGONISTE SUR LA MCH, MEDICAMENTS CONTENANT CES COMPOSES ET LEURS PROCEDES DE PRODUCTION
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2004024702A1

  公开（公告）日：2004-03-25

  Die vorliegende Erfindung betrifft Carbonsäureamid-Verbindungen der allgemeinen Formel (I), in der die Gruppen und Reste A, B, W, X, Y, Z, R1, R2, R3 und k die in Anspruch 1 angegebenen Bedeutungen aufweisen. Ferner betrifft die Erfindung Verfahren zur Herstellung der zuvor genannten Carbonsäureamide sowie Arzneimittel enthaltend mindestens ein erfindungsgemässes Carbonsäureamid. Auf Grund der MCH-Rezeptor antagonistischen Aktivität eignen sich die erfindungsgemässen Arzneimittel zur Behandlung von metabolischen Störungen und/oder Essstörungen, insbesondere von Obesitas, Bulimie, Anorexie, Hyperphagia und Diabetes.