6-methyl-1-(2-morpholin-4-yl-ethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinoline-3-carbonitrile

• 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: 6-methyl-1-(2-morpholin-4-yl-ethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinoline-3-carbonitrile
• 英文别名: 6-Methyl-1-(2-morpholin-4-yl-ethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1 2-dihydro-quinolin-3-carbonitrile；6-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
• 化学式: C₂₆H₂₉N₅O₃S
• 分子量: 491.614
• InChiKey: IHOBFDCOJUEODI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(2-氯乙基)吗啉 、 6-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinoline-3-carbonitrile 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 以17%的产率得到6-methyl-1-(2-morpholin-4-yl-ethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinoline-3-carbonitrile
  参考文献：
  名称：

  [EN] INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME
  [FR] INHIBITEURS DU FACTEUR D'INHIBITION DE LA MIGRATION DES MACROPHAGES(MIF) ET PROCEDES D'IDENTIFICATION DE CEUX-CI

  摘要：

  公开号：

  WO2004074218A3

文献信息

• Inhibitors of macrophage migration inhibitory factor and methods for identifying the same
  申请人：Avanir Pharmaceuticals

  公开号：US07235546B2

  公开（公告）日：2007-06-26

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R1, R2, R3, R4, X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了MIF抑制剂，其在治疗各种疾病方面具有用途，包括治疗与MIF活性相关的病理条件。MIF抑制剂具有以下结构：包括立体异构体、前药和其药学上可接受的盐，其中n、R1、R2、R3、R4、X和Z如本文所定义。还提供了含有MIF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。
• INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME
  申请人：Sircar Jagadish

  公开号：US20070238736A9

  公开（公告）日：2007-10-11

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了抑制MIF的抑制剂，其在治疗多种疾病方面具有用途，包括治疗与MIF活性相关的病理条件。 MIF的抑制剂具有以下结构：包括立体异构体，前药和其药学上可接受的盐，其中n，R1，R2，R3，R4，X和Z的定义如本文所述。还提供了含有MIF抑制剂和药学上可接受的载体组合的组合物，以及使用它们的方法。
• US7173036B2
  申请人：——

  公开号：US7173036B2

  公开（公告）日：2007-02-06
• US7235546B2
  申请人：——

  公开号：US7235546B2

  公开（公告）日：2007-06-26
• US7312221B2
  申请人：——

  公开号：US7312221B2

  公开（公告）日：2007-12-25