4'-acetylamino-biphenyl-4-carboxylic acid | 41345-35-1

• 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'-acetylamino-biphenyl-4-carboxylic acid
• 英文别名: 4'-Acetylamino-biphenyl-4-carbonsaeure；4'-(Acetylamino)[1,1'-biphenyl]-4-carboxylic acid；4-(4-acetamidophenyl)benzoic acid
• CAS: 41345-35-1
• 化学式: C₁₅H₁₃NO₃
• mdl: MFCD06802361
• 分子量: 255.273
• InChiKey: IOCAVWKNFACNHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.066
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4'-acetylamino-biphenyl-4-carboxylic acid 在 lithium hydroxide monohydrate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 甲醇 、 异丁醇 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-(4'-acetamido-[1,1'-biphenyl]-4-yl)-6-methyl-1H-benzimidazole-4-carboxylic acid
  参考文献：
  名称：

  Benzimidazole derivatives as potential dual inhibitors for PARP-1 and DHODH

  摘要：

  Poly (ADP-ribose) polymerases (PARPs) play diverse roles in various cellular processes that involve DNA repair and programmed cell death. Amongst these polymerases is PARP-1 which is the key DNA damage-sensing enzyme that acts as an initiator for the DNA repair mechanism. Dihydroorotate dehydrogenase (DHODH) is an enzyme in the pyrimidine biosynthetic pathway which is an important target for anti-hyperproliferative and anti-inflammatory drug design. Since these enzymes share a common role in the DNA replication and repair mechanisms, it may be beneficial to target both PARP-1 and DHODH in attempts to design new anti-cancer agents.Benzimidazole derivatives have shown a wide variety of pharmacological activities including PARP and DHODH inhibition. We hereby report the design, synthesis and bioactivities of a series of benzimidazole derivatives as inhibitors of both the PARP-1 and DHODH enzymes. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.05.051
• 作为产物：
  描述：

  4'-氨基-4-氰基联苯 在 氢氧化钾 、 溶剂黄146 作用下， 生成 4'-acetylamino-biphenyl-4-carboxylic acid
  参考文献：
  名称：

  Iwanow; Panaiotow, Doklady Akademii Nauk SSSR, 1955, vol. 100, p. 465,467

  摘要：

  DOI：

文献信息

• [EN] ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA<br/>[FR] DERIVES DE PIPERIDINE-ARYLE SERVANT D'INDUCTEURS DE L'EXPRESSION DU RECEPTEUR LDL POUR LE TRAITEMENT DE L'HYPERCHOLESTEROLEMIE
  申请人：GLAXO GROUP LTD

  公开号：WO2004006922A1

  公开（公告）日：2004-01-22

  This invention relates to novel compounds which up-regulate LDL receptor (LDL-r) expression and to processes for their preparation, pharmaceutical compositions containing them and their medical use. More particularly, this invention relates to novel aromatic piperidines of formula (I) and their use in therapy.

  这项发明涉及一种新型化合物，可以上调LDL受体（LDL-r）的表达，并涉及其制备过程、含有它们的药物组合物以及它们的医疗用途。更具体地，这项发明涉及式（I）的新型芳香基哌啶及其在治疗中的应用。
• Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia
  申请人：Bouillot Jeanne Anne Marie

  公开号：US20060052384A1

  公开（公告）日：2006-03-09

  This invention relates to novel compounds which up-regulate LDL receptor (LDL-r) expression and to processes for their preparation, pharmaceutical compositions containing them and their medical use. More particularly, this invention relates to novel aromatic piperidines and their use in therapy.

  本发明涉及一种新型化合物，其上调LDL受体（LDL-r）表达，并涉及其制备过程、含有它们的制药组合物及其医学用途。更具体地说，本发明涉及新型芳香基哌啶及其在治疗中的应用。
• ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR
  申请人：Buchmann Bernd

  公开号：US20090023741A1

  公开（公告）日：2009-01-22

  The present invention relates to aryl/hetarylamide derivatives of the general formula I, process for their preparation, and the use thereof for the manufacture of pharmaceutical compositions for the treatment of disorders and indications connected with the EP 2 receptor.

  本发明涉及通式I的芳基/杂环酰胺衍生物，其制备方法，以及用于制造治疗与EP2受体相关的疾病和适应症的药物组合物的用途。
• ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA
  申请人：GLAXO GROUP LIMITED

  公开号：EP1539158A1

  公开（公告）日：2005-06-15
• [EN] ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR<br/>[FR] ARYL/HÉTARYLAMIDES EN TANT QUE MODULATEURS DU RÉCEPTEUR EP2
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2008152099A2

  公开（公告）日：2008-12-18

  [EN] The present invention relates to aryl/ hetarylamide derivativ es of the general formula (I), process for their preparation, and the use thereof for the manufacture of pharmaceutical compositions for the treatment of disorders and indications connected with the EP2 receptor.
  [FR] La présente invention porte sur des dérivés d'aryle/hétarylamide de la formule générale (I), sur un procédé pour leur préparation et sur l'utilisation de ceux-ci dans la fabrication de compositions pharmaceutiques pour le traitement de troubles et d'indications associés au récepteur EP2.