2-Chloro-5-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid | 292640-64-3

• 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: 2-Chloro-5-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid
• 英文别名: 2-chloro-5-[5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
• CAS: 292640-64-3
• 化学式: C₁₅H₈ClNO₄S₂
• 分子量: 365.818
• InChiKey: VJSXJBRRUVDPIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 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

• 作为反应物：
  描述：

  2-Chloro-5-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid 、 2-(1h-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 N,N-二乙基乙二胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以to yield 2-chloro-N-(2-(diethylamino)ethyl)-5-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzamide的产率得到2-chloro-N-(2-(diethylamino)ethyl)-5-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzamide
  参考文献：
  名称：

  RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS

  摘要：

  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。

  公开号：

  US20100331315A1
• 作为产物：
  描述：

  罗丹宁 、 2-氯-5-(5-甲酰基呋喃-2-基)苯甲酸 在 溶剂黄146 、 β-丙氨酸 作用下， 生成 2-Chloro-5-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid
  参考文献：
  名称：

  Exploration of novel thiobarbituric acid-, rhodanine- and thiohydantoin-based HIV-1 integrase inhibitors

  摘要：

  A novel compound inhibiting HIV-1 integrase has been identified by means of virtual screening techniques. A small family of structurally related molecules has been synthesized and biologically evaluated with some of the compounds possessing micromolar activity both in enzymatic and cellular assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.132

文献信息

• Exploration of novel thiobarbituric acid-, rhodanine- and thiohydantoin-based HIV-1 integrase inhibitors
  作者：Suvi Rajamaki、Anna Innitzer、Chiara Falciani、Cristina Tintori、Frauke Christ、Myriam Witvrouw、Zeger Debyser、Silvio Massa、Maurizio Botta

  DOI：10.1016/j.bmcl.2009.04.132

  日期：2009.7

  A novel compound inhibiting HIV-1 integrase has been identified by means of virtual screening techniques. A small family of structurally related molecules has been synthesized and biologically evaluated with some of the compounds possessing micromolar activity both in enzymatic and cellular assays. (C) 2009 Elsevier Ltd. All rights reserved.
• 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。