3-[5-(4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]benzoic 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: 3-[5-(4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]benzoic acid
• 英文别名: 3-[5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
• 化学式: C₁₅H₉NO₄S₂
• 分子量: 331.373
• InChiKey: BHFPIPOWNHCUDR-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(5-甲酰基-2-呋喃基)苯甲酸 、 罗丹宁 、 C.I.酸性橙108 以 水 为溶剂， 生成 3-[5-(4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]benzoic 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。
• RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS
  申请人：HADDACH Mustapha

  公开号：US20100331315A1

  公开（公告）日：2010-12-30

  The invention provides compounds that inhibit PIM kinases and/or CK2, and compositions containing such compounds. These compounds and compositions are useful for treating proliferative disorders such as cancer, as well as other kinase-associated conditions including inflammation, pain, vascular disorders, pathogenic infections and certain immunological disorders.

  该发明提供了能够抑制PIM激酶和/或CK2的化合物以及含有这些化合物的组合物。这些化合物和组合物可用于治疗增殖性疾病如癌症，以及其他与激酶相关的疾病，包括炎症、疼痛、血管疾病、病原体感染和某些免疫性疾病。
• ANTI-VIRAL COMPOSITIONS COMPRISING HETEROCYCLIC SUBSTITUTED PHENYL FURANS AND RELATED COMPOUNDS
  申请人：THE NEW YORK BLOOD CENTER

  公开号：EP1896033A2

  公开（公告）日：2008-03-12
• Anti-viral compositions comprising heterocyclic substituted phenyl furans and related compounds
  申请人：Jiang Shibo

  公开号：US20060287319A1

  公开（公告）日：2006-12-21

  A group of compounds that inhibit HIV replication by blocking HIV entry was identified. One representative compound, designated NB-206, and its analogs inhibited HIV replication (p24 production) with IC 50 values at nanomolar levels. It was proved that NB-206 and its analogs are HIV entry inhibitors by targeting the HIV gp41 since: 1) they inhibited HIV-mediated cell fusion; 2) they inhibited HIV replication only when they were added to the cells less than one hour after virus addition; 3) they blocked the formation of the gp41 core that is detected by sandwich enzyme linked immunosorbent assay (ELISA) using a conformation-specific MAb NC-1; and 4) they inhibited the formation of the gp41 six-helix bundle revealed by fluorescence native-polyacrylamide gel electrophoresis (FN-PAGE). These results suggested that NB-206 and its analogs may interact with the hydrophobic cavity and block the formation of the fusion-active gp41 coiled coil domain, resulting in inhibition of HIV-1 mediated membrane fusion and virus entry.
• [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.