3-(5-((4-Oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)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-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid
• 英文别名: 3-[5-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
• 化学式: C₂₂H₁₂F₃NO₄S₂
• 分子量: 475.5
• InChiKey: BEWAZKJPAXDZDV-WQRHYEAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN
  申请人：Bewley Carole A.

  公开号：US20130331460A1

  公开（公告）日：2013-12-12

  Embodiments of antimicrobial chrysophaentin compounds, pharmaceutical compositions including the chrysophaentin compounds, methods for using the chrysophaentin compounds, and methods for synthesizing the chrysophaentin compounds are disclosed. Certain embodiments of the chrysophaentin compounds inhibit FtsZ protein, thereby inhibiting the growth of clinically relevant bacteria, including drug-resistant strains.

  本文揭示了抗微生物药物Chrysophaentin化合物的实施例，包括该化合物的制药组合物，使用该化合物的方法以及合成该化合物的方法。某些实施例的Chrysophaentin化合物抑制FtsZ蛋白，从而抑制临床相关细菌的生长，包括耐药菌株。
• 2-thioxothiazolidin-4-one compounds and compositions as antimicrobial and antimalarial agents targeting enoyl-ACP reductase of type II fatty acid synthesis pathway and other cell growth pathways
  申请人：National Institute of Immunology

  公开号：EP1834642A2

  公开（公告）日：2007-09-19

  The current invention presents enoyl-ACP reductase, an enzyme of the type II fatty acid synthesis pathway as a target for treating human malarias and other infectious diseases. We also present in the current invention, 2-thioxothiazolidin-4-ones as antimicrobial and antimalarial agents. We provide 2-thioxothiazolidin-4-ones as antimicrobial and antimalarial agents either alone or in combination with other known antimicrobial and antimalarial agents with or without added adjuvants or diluents or carriers.

  本发明将 II 型脂肪酸合成途径中的一种酶--烯酰-ACP 还原酶作为治疗人类疟疾和其他传染性疾病的靶标。本发明还提出了作为抗菌剂和抗疟药物的 2-硫酮噻唑烷-4-酮。我们提供 2-硫酮噻唑烷-4-酮作为抗菌剂和抗疟药物，可以单独使用，也可以与其他已知的抗菌剂和抗疟药物结合使用，可以添加佐剂或稀释剂或载体，也可以不添加佐剂或稀释剂或载体。
• CHRYSOPHAENTIN ANTIMICROBIAL COMPOUNDS THAT INHIBIT FTSZ PROTEIN
  申请人：The United States of America, as represented by The Secretary, Department of Health and Human Services

  公开号：EP2539305A2

  公开（公告）日：2013-01-02
• 2-Thioxothiazolidin-4-one compounds and compositions as antimicrobial and antimalarial agents targeting enoyl-ACP reductase of type II fatty acid synthesis pathway and other cell growth pathways
  申请人：Surolia Avadhesha

  公开号：US20080051445A1

  公开（公告）日：2008-02-28

  The current invention presents enoyl-ACP reductase, an enzyme of the type II fatty acid synthesis pathway as a target for treating human malarias and other infectious diseases. We also present in the current invention, 2-thioxothiazolidin-4-ones as antimicrobial and antimalarial agents. We provide 2-thioxothiazolidin-4-ones as antimicrobial and antimalarial agents either alone or in combination with other known antimicrobial and antimalarial agents with or without added adjuvants or diluents or carriers.
• Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates
  申请人：Surolia Avadhesha

  公开号：US20100190832A1

  公开（公告）日：2010-07-29

  Transthyretin (TTR), a tetrameric thyroxine (T4) carrier protein, is associated with a variety of amyloid diseases. Derivative of biphenyl ethers (BPE), which are shown to interact with a high affinity to its T4 binding site thereby preventing its aggregation and fibrillogenesis. They prevent fibrillogenesis by stabilizing the tetrameric ground state of transthyretin. Two compounds (2-(5-mercapto-[1,3,4]oxadiazol-2-yl)-phenol and 2,3,6-trichloro-N-(4H-[1,2,4]triazol-3-yl) exhibit the ability to arrest TTR amyloidosis. The dissociation constants for the binding of BPEs and compound 11 and 12 to TTR correlate with their efficacies of inhibiting amyloidosis. They also have the ability to inhibit the elongation of intermediate fibrils as well as show nearly complete (>90%) disruption of the preformed fibrils. Biphenyl ethers and compounds 11 and 12 as very potent inhibitors of TTR fibrillization and inducible cytotoxicity.