6-cyano-7-hydroxythieno<3,2-b>pyridin-5(4H)-one | 74695-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: 6-cyano-7-hydroxythieno<3,2-b>pyridin-5(4H)-one
• 英文别名: 7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-b]pyridine-6-carbonitrile；6-cyano-7-hydroxythieno[3,2-b]pyridin-5(4H)-one；7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile
• CAS: 74695-38-8
• 化学式: C₈H₄N₂O₂S
• 分子量: 192.198
• InChiKey: TZOFGUGBZVMWIR-UHFFFAOYSA-N

物化性质

• 熔点：
  329-332 °C
• 沸点：
  442.8±45.0 °C(Predicted)
• 密度：
  1.65±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-cyano-7-hydroxythieno<3,2-b>pyridin-5(4H)-one 在 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 52.5h， 生成 5-chloro-6-cyano-7-methoxythieno<3,2-b>pyridine
  参考文献：
  名称：

  Barker, John M.; Huddleston, Patrick R.; Holmes, David, Journal of Chemical Research, Miniprint, 1984, # 3, p. 771 - 795

  摘要：

  DOI：
• 作为产物：
  描述：

  Ethyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以34%的产率得到6-cyano-7-hydroxythieno<3,2-b>pyridin-5(4H)-one
  参考文献：
  名称：

  Barker, John M.; Huddleston, Patrick R.; Chadwick, Nigel, Journal of Chemical Research, Miniprint, 1980, # 1, p. 113 - 126

  摘要：

  DOI：

文献信息

• TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES
  申请人：Sircar Jagadish

  公开号：US20080139551A1

  公开（公告）日：2008-06-12

  treatment of a variety of disorders, including the treatment of pathological conditions associated with tumor necrosis factor alpha. The inhibitors of tumor necrosis factor alpha have the following structures: including stereoisomers, pharmaceutically acceptable salts, and solvates thereof, wherein substituents are as defined herein. Compositions containing an inhibitor of tumor necrosis factor alpha in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  治疗各种疾病，包括与肿瘤坏死因子α相关的病理条件的治疗。肿瘤坏死因子α的抑制剂具有以下结构：包括立体异构体、药用可接受的盐和溶剂，其中取代基如本文所定义。还提供了含有肿瘤坏死因子α抑制剂与药用可接受载体结合的组合物，以及使用方法。
• Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors
  申请人：Sircar Jagadish

  公开号：US20060229314A1

  公开（公告）日：2006-10-12

  Inhibitors of macrophage migration inhibitory factor having a thienopyridinone backbone are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with macrophage migration inhibitory factor activity. The inhibitors of macrophage migration inhibitory factor have the following structures: including forms such as stereoisomers, free forms, pharmaceutically acceptable salts or esters thereof, solvates, or combinations of such forms, wherein n, R 1 , R 2 , R 3 , X, and Y are as defined herein. Compositions comprising an inhibitor of macrophage migration inhibitory factor in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了具有噻吩并吡啶骨架的巨噬细胞迁移抑制因子抑制剂，其在治疗多种疾病中具有用途，包括治疗与巨噬细胞迁移抑制因子活性相关的病理条件。巨噬细胞迁移抑制因子的抑制剂具有以下结构：包括立体异构体、自由形态、药学上可接受的盐或酯、溶剂化物或这些形式的组合，其中n、R1、R2、R3、X和Y如本文所定义。还提供了包含巨噬细胞迁移抑制因子抑制剂与药学上可接受的载体组合的组合物，以及使用它们的方法。
• THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS
  申请人：Sircar Jagadish

  公开号：US20070179149A1

  公开（公告）日：2007-08-02

  Inhibitors of macrophage migration inhibitory factor having a thienopyridinone backbone are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with macrophage migration inhibitory factor activity. The inhibitors of macrophage migration inhibitory factor have the following structures: including forms such as stereoisomers, free forms, pharmaceutically acceptable salts or esters thereof, solvates, or combinations of such forms, wherein n, R 1 , R 2 , R 3 , X, and Y are as defined herein. Compositions comprising an inhibitor of macrophage migration inhibitory factor in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了具有噻唑吡啶骨架的巨噬细胞迁移抑制因子抑制剂，其在治疗各种疾病中具有用途，包括与巨噬细胞迁移抑制因子活性相关的病理条件的治疗。巨噬细胞迁移抑制因子的抑制剂具有以下结构：包括立体异构体、自由形式、药学上可接受的盐或酯、溶剂化合物或这些形式的组合，其中n、R1、R2、R3、X和Y的定义如此处所述。还提供了包含巨噬细胞迁移抑制因子抑制剂与药学上可接受的载体组合的组合物，以及使用它们的方法。
• WO2006/102191
  申请人：——

  公开号：——

  公开（公告）日：——
• BARKER J. M.; HUDDLESTON P. R.; CHADWICK N.; KEENAM G. J., J. CHEM. RES. SYNOP., 1980, NO 1, 6-7 (M 0113-0126)
  作者：BARKER J. M.、 HUDDLESTON P. R.、 CHADWICK N.、 KEENAM G. J.

  DOI：——

  日期：——