6-Methyl-4-(4-methyl-piperazin-1-yl)-2-oxo-1-pyridin-2-ylmethyl-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester | 950840-97-8

• 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-4-(4-methyl-piperazin-1-yl)-2-oxo-1-pyridin-2-ylmethyl-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 6-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylate
• CAS: 950840-97-8
• 化学式: C₂₄H₂₈N₄O₃
• 分子量: 420.511
• InChiKey: MDYOWZLVRNFNAU-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：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨基-5-甲基苯甲酸 在 sodium hydride 作用下， 以 1,4-二氧六环 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.08h， 生成 6-Methyl-4-(4-methyl-piperazin-1-yl)-2-oxo-1-pyridin-2-ylmethyl-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES

  摘要：

  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。

  公开号：

  US20080139551A1

文献信息

• [EN] TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES<br/>[FR] INHIBITEURS DU FACTEUR DE NÉCROSE TUMORALE ALPHA ET LEURS UTILISATIONS POUR LE TRAITEMENT DE MALADIES HUMAINES
  申请人：AVANIR PHARMACEUTICALS

  公开号：WO2007109251A2

  公开（公告）日：2007-09-27

  [EN] Inhibitors of tumor necrosis factor alpha are provided which have utility in the 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: (I) 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.
  [FR] L'invention porte sur des inhibiteurs du facteur de nécrose tumorale alpha utiles pour le traitement de divers troubles dont le traitement d'états pathologiques associés audit facteur. Lesdits inhibiteurs présentent les structures (I) dont les substituants sont définis dans la description. L'invention porte également sur leurs stéréoisomères, leurs sels pharmacocompatibles, leurs solvates, sur des compositions les contenant avec un support pharmacocompatibles, et sur leurs méthodes d'utilisation.
• [EN] QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLINE EN TANT QU'INHIBITEURS DE PI3 KINASE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2008144463A1

  公开（公告）日：2008-11-27

  [EN] Invented is a method of inhibiting the activity/function of PB kinases using quinoline derivatives. Also invented is a method of treating one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries by the administration of quinoline derivatives.
  [FR] Procédé d'inhibition d'activité/de fonction de PI3 kinases reposant sur l'utilisation de dérivés de quinoline. Également, procédé de traitement, par administration de dérivés de quinoline, d'une ou plusieurs maladies pouvant être: troubles autoimmunes, maladies inflammatoires, cardio-vasculaires, neurodégénératives, allergie, asthme, pancréatite, défaillance de plusieurs organes, maladies rénales, agrégation plaquettaire, cancer, motilité du sperme, rejet de transplant, rejet de greffon, et lésions pulmonaires.
• 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。