5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-4,5-dihydro-2-thia-4-aza-indene-6-carbonitrile | 910909-40-9

• 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: 5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-4,5-dihydro-2-thia-4-aza-indene-6-carbonitrile
• 英文别名: 5-Oxo-4-pyridine-3-yl-7-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-4,5-dihydro-2-thia-4-aza-indene-6-carbonitrile；2-oxo-1-pyridin-3-yl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,4-b]pyridine-3-carbonitrile
• CAS: 910909-40-9
• 化学式: C₂₂H₁₇N₅O₂S₂
• 分子量: 447.541
• InChiKey: LFHMOJSPOGAHAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-oxo-7-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-4,5-dihydro-2-thia-4-aza-indene-6-carbonitrile 、 3-吡啶硼酸 在 copper diacetate 、 三乙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以54%的产率得到5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-4,5-dihydro-2-thia-4-aza-indene-6-carbonitrile
  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
• [EN] THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS<br/>[FR] DERIVES DE THIENOPYRIDINONE UTILISES EN TANT QU'INHIBITEURS DU FACTEUR D'INHIBITION DE LA MIGRATION DES MACROPHAGES
  申请人：AVANIR PHARMACEUTICALS

  公开号：WO2006102191A1

  公开（公告）日：2006-09-28

  [EN] 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 formula (I), (II), (III) including forms such as stereoisomers, free forms, pharmaceutically acceptable salts or esters thereof, solvates, or combinations of such forms, wherein n, R₁, R₂, R₃, 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.
  [FR] L'invention se rapporte à des inhibiteurs du facteur d'inhibition de la migration des macrophages comprenant un squelette thiénopyridinone. Ces inhibiteurs peuvent servir à traiter une variété de troubles, y compris des états pathologiques associés à l'activité du facteur d'inhibition de la migration des macrophages. L'invention concerne des inhibiteurs de formules (I), (II), (III), dans lesquelles n, R₁, R₂, R₃, X, et Y sont tels que définis dans la description, ainsi que des formes de type stéréo-isomères, des formes libres, des sels pharmaceutiquement acceptables, ou des esters de ces inhibiteurs, et des solvates, ou des combinaisons desdites formes. La présente invention concerne en outre des compositions comprenant un inhibiteur du facteur d'inhibition de la migration des macrophages, en association avec un vecteur pharmaceutiquement acceptable, ainsi que des procédés d'utilisation correspondants.
• WO2006/102191
  申请人：——

  公开号：——

  公开（公告）日：——