4-羟基-6-氧代-6,7-二氢噻吩并[2,3-b]吡啶-5-羧酸乙酯 | 99429-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 中文名称: 4-羟基-6-氧代-6,7-二氢噻吩并[2,3-b]吡啶-5-羧酸乙酯
• 英文名称: 5-ethoxycarbonyl-4-hydroxythieno<2,3-b>pyridin-6(7H)-one
• 英文别名: 4-hydroxy-6-oxo-6,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester；ethyl 4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylate；ethyl 6,7-dihydro-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylate；ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
• CAS: 99429-68-2
• 化学式: C₁₀H₉NO₄S
• 分子量: 239.252
• InChiKey: RODNASQPMSZQGR-UHFFFAOYSA-N

物化性质

• 沸点：
  475.7±45.0 °C(Predicted)
• 密度：
  1.507±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-羟基-6-氧代-6,7-二氢噻吩并[2,3-b]吡啶-5-羧酸乙酯 在 苯膦酰二氯 、 sodium 作用下， 反应 2.0h， 生成 ethyl 6-chloro-4-ethoxythieno<2,3-b>pyridine-5-carboxylate
  参考文献：
  名称：

  Barker, John M.; Huddleston, Patrick R.; Holmes, David, Journal of Chemical Research, Miniprint, 1985, # 7, p. 2501 - 2523

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl 2-{[3-(ethyloxy)-3-oxopropanoyl]amino}-3-thiophenecarboxylate 在 sodium ethanolate 作用下， 以 分析纯正二十烷 为溶剂， 生成 4-羟基-6-氧代-6,7-二氢噻吩并[2,3-b]吡啶-5-羧酸乙酯
  参考文献：
  名称：

  WO2006/102191

  摘要：

  公开号：

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。
• PROLYL HYDROXYLASE INHIBITORS
  申请人：Fitch Duke M.

  公开号：US20090176825A1

  公开（公告）日：2009-07-09

  The invention described herein relates to certain bicyclic heteroaromatic N-substituted glycine derivatives of formula (I) which are antagonists of HIF prolyl hydroxylases and are useful for treating diseases benefiting from the inhibition of this enzyme, anemia being one example.

  本发明涉及公式(I)的某些双环杂环N-取代甘氨酸衍生物，它们是HIF脯氨酸羟化酶的拮抗剂，适用于治疗受益于抑制该酶的疾病，例如贫血。
• Thienopyridine derivatives
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：US05219864A1

  公开（公告）日：1993-06-15

  Disclosed is a thienopyridine derivative represented by formula (I): ##STR1## wherein one of A and B represents --S-- and the other represents --CH.dbd.; R represents hydrogen or lower alkyl, and Z represents pyridyl; or a pharmaceutically acceptable salt thereof. The thienopyridine derivative is useful as an immunoregulator and for the prevention and treatment of osteoporosis.

  本发明公开了一种由式(I)所代表的噻吩并嘧啶衍生物：##STR1## 其中A和B中的一个表示--S--，另一个表示--CH.dbd.；R表示氢或低碳基，Z表示吡啶基；或其药学上可接受的盐。该噻吩并嘧啶衍生物可用作免疫调节剂，并用于预防和治疗骨质疏松症。