3,5-二甲基联苯-4-羧酸 | 505082-92-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,5-二甲基联苯-4-羧酸
• 英文名称: 3',5'‐dimethyl‐(1,1'‐biphenyl)‐4‐carboxylic acid
• 英文别名: 3',5'-dimethyl-biphenyl-4-carboxylic acid；4-(3,5-dimethylphenyl)benzoic Acid
• CAS: 505082-92-8
• 化学式: C₁₅H₁₄O₂
• 分子量: 226.275
• InChiKey: KQVFDBZDLRABMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-碘苯甲酸 、 3,5-二甲基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 5.0h， 以24%的产率得到3,5-二甲基联苯-4-羧酸
  参考文献：
  名称：

  A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences

  摘要：

  The nuclear retinoid X receptors (RXRs) are key ligand sensing transcription factors that serve as universal nuclear receptor heterodimer partners and are thus involved in numerous physiological processes. Therapeutic targeting of RXRs holds high potential but available RXR activators suffer from limited safety. Selectivity for RXR subtypes or for certain RXR heterodimers are promising strategies for safer RXR modulation. Here, we report systematic structure activity relationship studies on biphenyl carboxylates as new RXR ligand chemotype. We discovered specific structural modifications that enhance potency on RXRs, govern subtype preference, and vary modulation of different RXR heterodimers. Fusion of these structural motifs enabled specific tuning of subtype preferential profiles with markedly improved potency. Our results provide further evidence that RXR subtype selective ligands can be designed and present a novel chemotype of RXR modulators that can be tuned for subtype and heterodimer preferences.

  DOI：

  10.1021/acsmedchemlett.9b00306

文献信息

• [EN] MUSCARINIC AGONISTS<br/>[FR] AGONISTES MUSCARINIQUES
  申请人：LILLY CO ELI

  公开号：WO2004094382A1

  公开（公告）日：2004-11-04

  The present invention relates to compounds of Formula (I): which are agonists of the M-1 muscarinic receptor.

  本发明涉及以下式（I）的化合物，它们是M-1肌胆碱受体的激动剂。
• Muscarinic agonists
  申请人：Allen Rebecca Jennifer

  公开号：US20060154922A1

  公开（公告）日：2006-07-13

  The present invention relates to compounds of Formula (I): which are agonists of the M-1 muscarinic receptor.

  本发明涉及公式（I）的化合物，其是M-1肌动蛋白受体的激动剂。
• 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。
• Indane derivates as muscarinic receptor agonists
  申请人：Allen Rebecca Jennifer

  公开号：US20070060587A1

  公开（公告）日：2007-03-15

  The present invention relates to compounds of Formula I: I which are agonists of the M-1 muscarinic receptor.

  本发明涉及I式化合物：I，它们是M-1肌动蛋白受体的激动剂。
• POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS
  申请人：MERCK PATENT GMBH

  公开号：US20140375943A1

  公开（公告）日：2014-12-25

  The present invention relates to polymerizable compounds, to processes and intermediates for the preparation thereof, to liquid-crystal (LC) media comprising them, and to the use of the polymerizable compounds and LC media for optical, electro-optical and electronic purposes, in particular in LC displays, especially in LC displays of the PSA (“polymer sustained alignment”) type.

  本发明涉及可聚合化合物、其制备过程和中间体、包含它们的液晶（LC）介质，以及将可聚合化合物和LC介质用于光学、电光和电子目的的使用，特别是在LC显示器中，特别是在PSA（“聚合物持续定向”）类型的LC显示器中。