4-(2-{5-[5-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]-2-hydroxy-benzoylamino}-ethylsulfanyl)-pyridine-2,6-dicarboxylic acid

• 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-(2-{5-[5-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]-2-hydroxy-benzoylamino}-ethylsulfanyl)-pyridine-2,6-dicarboxylic acid
• 英文别名: 4-[2-[[5-[5-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-hydroxybenzoyl]amino]ethylsulfanyl]pyridine-2,6-dicarboxylic acid
• 化学式: C₂₄H₁₇N₃O₉S₂
• 分子量: 555.546
• InChiKey: AZLNVWRJGLJYQB-UFWORHAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  247
• 氢给体数：
  5
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1-(ethyl)-3-(dimethylaminopropyl)carbodiimide 、 5-[5-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]-2-hydroxy-benzoic acid 、 二甲基4-氨基-2,6-吡啶二羧酸酯 在 白碳黑 LiOH 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(2-{5-[5-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]-2-hydroxy-benzoylamino}-ethylsulfanyl)-pyridine-2,6-dicarboxylic acid
  参考文献：
  名称：

  Common ligand mimics: thiazolidinediones and rhodanines

  摘要：

  本发明提供了作为受体家族通用配体的共同配体模拟物。本发明还提供了含有这些共同配体模拟物的双配体。本发明的双配体通过共同配体模拟物和构成双配体的特异性配体的协同作用，提供了对受体或受体家族的配体结合的增强亲和力和/或选择性。本发明还提供了包含共同配体模拟物和本发明的双配体的组合库。此外，本发明提供了制造共同配体模拟物和本发明的双配体的方法，以及检测本发明的组合库的方法。

  公开号：

  US20040009526A1

文献信息

• Identification of ligands for a receptor family and related methods
  申请人：——

  公开号：US20030180797A1

  公开（公告）日：2003-09-25

  The invention provides a method of identifying a population of bi-ligands to receptors in a receptor family. The method can include the steps of generating a first population of molecules comprising a specificity ligand having binding activity for a receptor in a receptor family, the specificity ligand attached to a first plurality of chemical moieties at a position on the specificity ligand to direct the specificity ligand to a specificity site and the chemical moieties to a conserved site of the receptor; screening the population of molecules for binding to the receptor; and identifying a bi-ligand having increased binding activity for the receptor relative to the specificity ligand alone, thereby identifying a common ligand having binding activity for the receptor. The method can further include the steps of generating a second population of molecules comprising the common ligand attached to a second plurality of chemical moieties.

  本发明提供了一种识别双配体与受体家族中的受体相结合的方法。该方法可以包括以下步骤：生成第一种分子群体，其中包括具有与受体家族中的受体结合活性的特异性配体，该特异性配体附着在特异性位点上的第一多元化学基团上，并将化学基团定向到受体的保守位点上；对分子群体进行筛选，以便与受体结合；并鉴定具有相对于特异性配体单独而言增强的受体结合活性的双配体，从而鉴定出具有受体结合活性的共同配体。该方法还可以包括以下步骤：生成第二种分子群体，其中包括附着在第二多元化学基团上的共同配体。
• [EN] COMMON LIGAND MIMICS: THIAZOLIDINEDIONES AND RHODANINES<br/>[FR] MIMETIQUES DE LIGANDS COMMUNS: THIAZOLIDINEDIONES ET RHODANINES
  申请人：TRIAD THERAPEUTICS INC

  公开号：WO2003072033A2

  公开（公告）日：2003-09-04

  The present invention provides common ligand mimics that act as common ligands for a receptor family. The present invention also provides bi-ligands containing these common ligand mimics. Bi-ligands of the invention provide enhanced affinity and/or selectivity of ligand binding to a receptor or receptor family through the synergistic action of the common ligand mimic and specificity ligand which compose the bi-ligand. The present invention also provides combinatorial libraries containing the common ligand mimics and bi-ligands of the invention. Further, the present invention provides methods for manufacturing the common ligand mimics and bi-ligands of the invention and methods for assaying the combinatorial libraries of the invention.
• [EN] IDENTIFICATION OF LIGANDS FOR A RECEPTOR FAMILY AND RELATED METHODS<br/>[FR] IDENTIFICATION DE LIGANDS POUR UNE FAMILLE DE RECEPTEURS ET PROCEDES ASSOCIES
  申请人：TRIAD THERAPEUTICS INC

  公开号：WO2003081209A2

  公开（公告）日：2003-10-02

  The invention provides a method of identifying a population of bi-ligands to receptors in a receptor family. The method can include the steps of generating a first population of molecules comprising a specificity ligand having binding activity for a receptor in a receptor family, the specificity ligand attached to a first plurality of chemical moieties at a position on the specificity ligand to direct the specificity ligand to a specificity site and the chemical moieties to a conserved site of the receptor; screening the population of molecules for binding to the receptor; and identifying a bi.ligand having increased binding activity for the receptor relative to the specificity ligand alone, thereby identifying a common ligand having binding activity for the receptor. The method can further include the steps of generating a second population of molecules comprising the common ligand attached to a second plurality of chemical moieties.
• Common ligand mimics: thiazolidinediones and rhodanines
  申请人：——

  公开号：US20040009526A1

  公开（公告）日：2004-01-15

  The present invention provides common ligand mimics that act as common ligands for a receptor family. The present invention also provides bi-ligands containing these common ligand mimics. Bi-ligands of the invention provide enhanced affinity and/or selectivity of ligand binding to a receptor or receptor family through the synergistic action of the common ligand mimic and specificity ligand which compose the bi-ligand. The present invention also provides combinatorial libraries containing the common ligand mimics and bi-ligands of the invention. Further, the present invention provides methods for manufacturing the common ligand mimics and bi-ligands of the invention and methods for assaying the combinatorial libraries of the invention.

  本发明提供了作为受体家族通用配体的共同配体模拟物。本发明还提供了含有这些共同配体模拟物的双配体。本发明的双配体通过共同配体模拟物和构成双配体的特异性配体的协同作用，提供了对受体或受体家族的配体结合的增强亲和力和/或选择性。本发明还提供了包含共同配体模拟物和本发明的双配体的组合库。此外，本发明提供了制造共同配体模拟物和本发明的双配体的方法，以及检测本发明的组合库的方法。