2-(2'-ethoxybiphenyl-4-yl)-6-fluoro-3-methylquinoline-4-carboxylic acid | 641611-84-9

• 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-(2'-ethoxybiphenyl-4-yl)-6-fluoro-3-methylquinoline-4-carboxylic acid
• 英文别名: 2-[4-(2-Ethoxyphenyl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
• CAS: 641611-84-9
• 化学式: C₂₅H₂₀FNO₃
• 分子量: 401.437
• InChiKey: JENSCTHFDKMRBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2'-ethoxybiphenyl-4-yl)-6-fluoro-3-methylquinoline-4-carboxylic acid 在 氯化亚砜 作用下， 反应 2.5h， 生成
  参考文献：
  名称：

  [EN] PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES
  [FR] COMPOSES A BASE DE QUINOLEINE ET DE QUINAZOLINE A SUBSTITUTION PHENYLIQUE POUR LE TRAITEMENT DU DIABETE

  摘要：

  公开号：

  WO2006034491A3
• 作为产物：
  描述：

  2-(4-溴苯基)-6-氟-3-甲基喹啉-4-羧酸 、 2-乙氧基苯硼酸 在 [1,4-bis(diphenylphosphino)butane]-palladium(II) dichloride sodium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以54%的产率得到2-(2'-ethoxybiphenyl-4-yl)-6-fluoro-3-methylquinoline-4-carboxylic acid
  参考文献：
  名称：

  [EN] PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES
  [FR] COMPOSES A BASE DE QUINOLEINE ET DE QUINAZOLINE A SUBSTITUTION PHENYLIQUE POUR LE TRAITEMENT DU DIABETE

  摘要：

  公开号：

  WO2006034491A3

文献信息

• PHOSPHODIESTERASE INHIBITOR
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1541149A1

  公开（公告）日：2005-06-15

  [wherein n represents an integer of from 1 to 4, R1 represents substituted or unsubstituted lower alkyl, -C(=Y)R9 or the like, R2 represents a hydrogen atom, substituted or unsubstituted lower alkyl or the like, R3 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl, a substituted or unsubstituted heterocyclic group or the like, and R4 represents halogen or the like.] A phosphodiesterase 10A inhibitor which comprises a quinoline derivative represented by the above formula (I) or a pharmaceutically acceptable salt thereof as an active ingredient is provided.

  提供一种磷酸二酯酶10A抑制剂，其包括上述式（I）所代表的喹啉衍生物或其药用盐作为活性成分。其中n表示1到4之间的整数，R1代表取代或未取代的较低烷基，-C(=Y)R9或类似物，R2代表氢原子，取代或未取代的较低烷基或类似物，R3代表取代或未取代的较低烷基，取代或未取代的芳基，取代或未取代的杂环基团或类似物，R4代表卤素或类似物。
• Phosphodiesterase inhibitor
  申请人：Osakada Naoto

  公开号：US20060111368A1

  公开（公告）日：2006-05-25

  [wherein n represents an integer of from 1 to 4, R 1 represents substituted or unsubstituted lower alkyl, —C(═Y)R 9 or the like, R 2 represents a hydrogen atom, substituted or unsubstituted lower alkyl or the like, R 3 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted aryl, a substituted or unsubstituted heterocyclic group or the like, and R 4 represents halogen or the like.]A phosphodiesterase 10A inhibitor which comprises a quinoline derivative represented by the above formula (I) or a pharmaceutically acceptable salt thereof as an active ingredient is provided.

  提供一种磷酸二酯酶10A抑制剂，其包括上述式（I）所代表的喹啉衍生物或其药学上可接受的盐作为活性成分，其中n表示1至4的整数，R1表示取代或未取代的低碳基，-C（═Y）R9或类似物，R2表示氢原子，取代或未取代的低碳基或类似物，R3表示取代或未取代的低碳基，取代或未取代的芳基，取代或未取代的杂环基或类似物，R4表示卤素或类似物。
• Development of a Plate-Based Optical Biosensor Fragment Screening Methodology to Identify Phosphodiesterase 10A Inhibitors
  作者：Stefan Geschwindner、Niek Dekker、Rob Horsefield、Anna Tigerström、Patrik Johansson、Clay W. Scott、Jeffrey S. Albert

  DOI：10.1021/jm301665y

  日期：2013.4.25

  We describe the development of a novel fragment screening methodology employing a plate-based optical biosensor system that can operate in a 384-well format. The method is based on the "inhibition in solution assay" (ISA) approach using an immobilized target definition compound (TDC) that has been specifically designed for this purpose by making use of available structural information. We demonstrate that this method is robust and is sufficiently sensitive to detect fragment hits as weak as KD 500 mu M when confirmed in a conventional surface plasmon resonance approach. The application of the plate-based screen, the identification of fragment inhibitors of PDE10A, and their structural characterization are all discussed in a forthcoming paper.
• [EN] PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES<br/>[FR] COMPOSES A BASE DE QUINOLEINE ET DE QUINAZOLINE A SUBSTITUTION DE PHENYLIQUE POUR LE TRAITEMENT DU DIABETE
  申请人：BAYER PHARMACEUTICALS CORP

  公开号：WO2006034512A2

  公开（公告）日：2006-03-30

  The invention relates to 2-phenyl-substituted quinoline and quinazoline compounds, pharmaceutical compositions, and methods for treating diabetes and related disorders.
• [EN] PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES<br/>[FR] COMPOSES A BASE DE QUINOLEINE ET DE QUINAZOLINE A SUBSTITUTION PHENYLIQUE POUR LE TRAITEMENT DU DIABETE
  申请人：BAYER PHARMACEUTICALS CORP

  公开号：WO2006034491A3

  公开（公告）日：2006-08-24