7-(3-fluoro-benzyl)-2-methyl-6-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-6,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester | 910909-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-(3-fluoro-benzyl)-2-methyl-6-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-6,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
• 英文别名: 7-(3-Fluoro-benzyl)-2-methyl-6-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-6,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester；ethyl 7-[(3-fluorophenyl)methyl]-2-methyl-6-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[2,3-b]pyridine-5-carboxylate
• CAS: 910909-54-5
• 化学式: C₂₇H₂₆FN₃O₄S₂
• 分子量: 539.652
• InChiKey: UZOAIFNEOCXTIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-chloro-7-(3-fluoro-benzyl)-2-methyl-6-oxo-6,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester 、 1-(2-噻吩基羰基)哌嗪 CF3COOH 在 三乙烯二胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到7-(3-fluoro-benzyl)-2-methyl-6-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-6,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  WO2006/102191

  摘要：

  公开号：

文献信息

• 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。
• US7365200B2
  申请人：——

  公开号：US7365200B2

  公开（公告）日：2008-04-29
• WO2006/102191
  申请人：——

  公开号：——

  公开（公告）日：——