3-((5Z)-5-{[5-(3-chlorophenyl)-2-furyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid | 851304-54-6

• 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-((5Z)-5-{[5-(3-chlorophenyl)-2-furyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid
• 英文别名: 3-[(5Z)-5-{[5-(3-Chlorophenyl)furan-2-YL]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-YL]propanoic acid；3-[(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
• CAS: 851304-54-6
• 化学式: C₁₇H₁₂ClNO₄S₂
• 分子量: 393.872
• InChiKey: RXVQGIXCWXKRCJ-ZROIWOOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  绕丹宁-3-丙酸 、 5-(3-氯苯基)糠醛 在 哌啶 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以75%的产率得到3-((5Z)-5-{[5-(3-chlorophenyl)-2-furyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid
  参考文献：
  名称：

  tauopathy细胞模型中基于罗丹宁的tau聚集抑制剂。

  摘要：

  DOI：

  10.1002/anie.200704051

文献信息

• [EN] RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES DE RHODANINE ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2004043955A1

  公开（公告）日：2004-05-27

  This invention describes rhodanine derivatives and pharmaceutical compositions useful as inhibitors of ubiquitination. The compounds and compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. In particular, the compounds and compositions are useful for treating cell proliferative diseases such as cancers.

  这项发明描述了罗丹宁衍生物和制药组合物，可用作泛素化抑制剂。该发明的化合物和组合物可用作参与泛素化的生物体的生化途径的抑制剂。特别地，这些化合物和组合物可用于治疗细胞增殖性疾病，如癌症。
• [EN] COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES<br/>[FR] COMPOSES, COMPOSITIONS ET PROCEDES POUR TRAITER DES INFECTIONS VIRALES ET LES MALADIES QUI Y SONT LIEES
  申请人：VIROPHARMA INC

  公开号：WO2000010573A1

  公开（公告）日：2000-03-02

  Compounds, compositions and methods are provided for the treatment and prophylaxis of infections and associated diseases caused by viruses of the Flaviviridae family by administering certain rhodanine derivatives, and analogs thereof, tri- and tetracyclic rhodanine alkanoic acids and rhodanine benzoic acids being particularly effective.

  本发明提供了一种通过给予某些罗丹宁衍生物及其类似物、三环和四环罗丹宁烷基酸和罗丹宁苯甲酸来治疗和预防由黄病毒科病毒引起的感染和相关疾病的化合物、组合物和方法。其中，三环和四环罗丹宁烷基酸和罗丹宁苯甲酸具有特别有效的作用。
• Compounds, compositions and methods for treating or preventing viral infections and associated diseases
  申请人：——

  公开号：US20040198741A1

  公开（公告）日：2004-10-07

  Compounds, compositions and methods are provided for the treatment and prophylaxis of infections and associated diseases caused by viruses of the Flaviviridae family by administering certain rhodanine derivatives, and analogs thereof, tri- and tetracyclic rhodanine alkanoic acids and rhodanine benzoic acids being particularly effective.

  提供了用于治疗和预防由Flaviviridae家族病毒引起的感染和相关疾病的化合物、组合物和方法，通过给予某些硫代乙酰丙酮衍生物和其类似物、三环和四环硫代乙酰丙酮脂肪酸和硫代乙酰丙酮苯甲酸来特别有效地治疗。
• Rhodanine derivatives and pharmaceutical compositions containing them
  申请人：Singh Rajinder

  公开号：US20060276520A1

  公开（公告）日：2006-12-07

  This invention describes rhodanine derivatives and pharmaceutical compositions useful as inhibitors of ubiquitination. The compounds and compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. In particular, the compounds and compositions are useful for treating cell proliferative diseases such as cancers.

  本发明描述了罗丹宁衍生物和药物组合物，用于抑制泛素化。本发明的化合物和组合物可用作生物体中泛素化涉及的生物化学通路的抑制剂。特别地，这些化合物和组合物可用于治疗细胞增殖性疾病，如癌症。
• RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS
  申请人：Singh Rajinder

  公开号：US20090137644A1

  公开（公告）日：2009-05-28

  This invention describes compounds and pharmaceutical compositions useful as inhibitors of ubiquitination. The compounds and compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. In particular, the compounds and compositions are useful for treating diseases caused by viruses such as poxviruses and retroviruses. The invention further provides for methods of treating smallpox, Herpes virus and HIV infection in patients using the compounds and compositions of the invention.

  这项发明描述了化合物和制药组合物，可用作泛素化抑制剂。该发明的化合物和组合物可用作生物体中泛素化参与的生化途径的抑制剂。特别是，该化合物和组合物可用于治疗由病毒引起的疾病，如痘病毒和逆转录病毒。该发明还提供了使用该化合物和组合物治疗天花、疱疹病毒和HIV感染患者的方法。