4-[(3-Ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid | 325806-59-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 4-[(3-Ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid
• 英文别名: 4-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
• CAS: 325806-59-5
• 化学式: C₁₈H₁₇NO₅S
• 分子量: 359.403
• InChiKey: YZTLNHLIDQNAAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[(3-Ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid 、 硫脲 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 ethyl 2-{[(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino}-5-methyl-4-phenylthiophene-3-carboxylate
  参考文献：
  名称：

  Identification of iminooxothiazolidines as secreted frizzled related protein-1 inhibitors

  摘要：

  Secreted frizzled related protein-1 (sFRP-1) inhibitors have the potential to be used for the treatment of osteoporosis or other bone related disorders, since the level of sFRP-1 affects osteoblast apoptosis and proliferation. From high throughput screening, we have identified a class of iminooxothiazolidines as sFRP-1 inhibitors. Structure-activity relationships were established for various regions of the scaffold along with the biochemical characterization of this class to probe selectivity, binding and ex vivo activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.085
• 作为产物：
  描述：

  马来酸酐 、 2-氨基-5-甲基-4-苯基噻吩-3-羧酸乙酯 以 乙醚 为溶剂， 反应 10.0h， 生成 4-[(3-Ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid
  参考文献：
  名称：

  Identification of iminooxothiazolidines as secreted frizzled related protein-1 inhibitors

  摘要：

  Secreted frizzled related protein-1 (sFRP-1) inhibitors have the potential to be used for the treatment of osteoporosis or other bone related disorders, since the level of sFRP-1 affects osteoblast apoptosis and proliferation. From high throughput screening, we have identified a class of iminooxothiazolidines as sFRP-1 inhibitors. Structure-activity relationships were established for various regions of the scaffold along with the biochemical characterization of this class to probe selectivity, binding and ex vivo activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.085

文献信息

• THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES
  申请人：RICCIARDI Robert P.

  公开号：US20100035887A1

  公开（公告）日：2010-02-11

  This invention provides methods of inhibiting replication of a poxvirus by contacting a poxvirus with a compound having formula I, formula XXI, formula XXXII, or formula XLI which in turn reduce, inhibit, or abrogate poxvirus DNA polymerase activity and/or its interaction with its processivity factor. Formula I, formula XXI, formula XXXII, or formula XLI can be utilized to treat humans and animals suffering from a poxvirus infection. Pharmaceutical compositions for treating poxvirus infected subjects are also provided.

  本发明提供了一种通过将痘病毒与具有公式I、公式XXI、公式XXXII或公式XLI的化合物接触来抑制痘病毒复制的方法，进而减少、抑制或消除痘病毒DNA聚合酶活性和/或其与其过程性因子的相互作用。公式I、公式XXI、公式XXXII或公式XLI可用于治疗患有痘病毒感染的人类和动物。还提供了用于治疗痘病毒感染受试者的药物组合物。
• US8278342B2
  申请人：——

  公开号：US8278342B2

  公开（公告）日：2012-10-02
• US8524719B2
  申请人：——

  公开号：US8524719B2

  公开（公告）日：2013-09-03
• US9211296B2
  申请人：——

  公开号：US9211296B2

  公开（公告）日：2015-12-15
• [EN] THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES<br/>[FR] COMPOSÉS THÉRAPEUTIQUES POUR UN BLOCAGE DE LA SYNTHÈSE D'ADN DE POXVIRUS
  申请人：UNIV PENNSYLVANIA

  公开号：WO2009008906A2

  公开（公告）日：2009-01-15

  This invention provides methods of inhibiting replication of a poxvirus by contacting a poxvirus with a compound having formula I, formula XXI, formula XXXII, or formula XLI which in turn reduce, inhibit, or abrogate poxvirus DNA polymerase activity and/or its interaction with its processivity factor. Formula I, formula XXI, formula XXXII, or formula XLI can be utilized to treat humans and animals suffering from a poxvirus infection. Pharmaceutical compositions for treating poxvirus infected subjects are also provided.