391680-92-5

• 常用中文名：5,6-二羟基-2-噻吩-2-基-嘧啶-4-羧酸甲酯
• 常用英文名：5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
• CAS号：391680-92-5
• 分子式：C₁₀H₈N₂O₄S
• 分子量：252.24700
• 相关类别： 信号通路 抗感染 CMV
• 发布时间：2018-12-03 16:52:54
• 更新时间：2024-01-29 14:50:57
• pUL89核酸内切酶-IN-1(化合物13d)是人巨细胞病毒(HCMV)pUL89内切酶的有效抑制剂,IC50值为0.88μM,具有抗病毒活性[1]。

名称

• 中文名: 5,6-二羟基-2-噻吩-2-基-嘧啶-4-羧酸甲酯
• 英文名: methyl 5-hydroxy-4-oxo-2-thiophen-2-yl-1H-pyrimidine-6-carboxylate
• 英文别名: 5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid methyl ester; methyl 5,6-dihydroxy-2-thien-2-ylpyrimidine-4-carboxylate; 4-Pyrimidinecarboxylic acid,5,6-dihydroxy-2-(2-thienyl)-,methyl ester; methyl 2-(2-thienyl)-4,5-dihydroxypyrimidine-6-carboxylate; (6E)-6-[hydroxy(methoxy)methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione

物化性质

• 分子式: C₁₀H₈N₂O₄S
• 分子量: 252.24700
• 精确质量: 252.02000
• PSA: 120.52000
• LogP: 0.99060

生物活性

• 描述: pUL89核酸内切酶-IN-1(化合物13d)是人巨细胞病毒(HCMV)pUL89内切酶的有效抑制剂,IC50值为0.88μM,具有抗病毒活性[1]。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 抗感染 >> CMV
• 靶点:

  IC50:0.88μM (pUL89-C)

• 体外研究: pUL89内切酶-IN-1(化合物13d)被强烈抑制pUL89-C,其值为IC500.88μM。pUL89核酸内切酶-IN-1在体外ADME中表现出极好的水溶性、血浆稳定性和代谢稳定性。pUL89核酸内切酶-IN-1在PAMPA中显示适度的通透性[1]。细胞毒性试验[1]细胞系：HFF细胞浓度：5μM孵育时间：168小时结果：在5μM时对HCMV有显著抑制作用。
• 参考文献:

  [1]. Tianyu He, et al. 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem. 2022 Apr 14;65(7):5830-5849.

  [2]. ianyu He, et al. 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem. 2022 Apr 14;65(7):5830-5849.

合成路线

1003-31-2 ~% 391680-92-5

文献：Pace, Paola; Di Francesco, M. Emilia; Gardelli, Cristina; Harper, Steven; Muraglia, Ester; Nizi, Emanuela; Orvieto, Federica; Petrocchi, Alessia; Poma, Marco; Rowley, Michael; Scarpelli, Rita; Laufer, Ralph; Paz, Odalys Gonzalez; Monteagudo, Edith; Bonelli, Fabio; Hazuda, Daria; Stillmock, Kara A.; Summa, Vincenzo Journal of Medicinal Chemistry, 2007 , vol. 50, # 9 p. 2225 - 2239

878650-00-1 ~% 391680-92-5

文献：Koch, Uwe; Attenni, Barbara; Malancona, Savina; Colarusso, Stefania; Conte, Immacolata; Di Filippo, Marcello; Harper, Steven; Pacini, Barbara; Giomini, Claudia; Thomas, Steven; Incitti, Ilario; Tomei, Licia; De Francesco, Raffaele; Altamura, Sergio; Matassa, Victor G.; Narjes, Frank Journal of Medicinal Chemistry, 2006 , vol. 49, # 5 p. 1693 - 1705

53370-51-7 ~% 391680-92-5

文献：Koch, Uwe; Attenni, Barbara; Malancona, Savina; Colarusso, Stefania; Conte, Immacolata; Di Filippo, Marcello; Harper, Steven; Pacini, Barbara; Giomini, Claudia; Thomas, Steven; Incitti, Ilario; Tomei, Licia; De Francesco, Raffaele; Altamura, Sergio; Matassa, Victor G.; Narjes, Frank Journal of Medicinal Chemistry, 2006 , vol. 49, # 5 p. 1693 - 1705

53370-51-7 762-42-5 ~14% 391680-92-5

文献：Summa, Vincenzo; Petrocchi, Alessia; Matassa, Victor G.; Gardelli, Cristina; Muraglia, Ester; Rowley, Michael; Paz, Odalys Gonzalez; Laufer, Ralph; Monteagudo, Edith; Pace, Paola Journal of Medicinal Chemistry, 2006 , vol. 49, # 23 p. 6646 - 6649

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