N-(5-tert-butyl-3-cyano-2-methoxyphenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide | 1041050-80-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(5-tert-butyl-3-cyano-2-methoxyphenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide
• 英文别名: N-(5-tert-butyl-3-cyano-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
• CAS: 1041050-80-9
• 化学式: C₃₀H₃₃N₃O₅
• 分子量: 515.609
• InChiKey: STFRCMLOPNSUSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(5-tert-butyl-3-cyano-2-methoxyphenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide 在 sodium azide 、 三乙胺盐酸盐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以57%的产率得到N-(5-tert-butyl-2-methoxy-3-(1H-tetrazol-5-yl)phenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide trifluoroacetate
  参考文献：
  名称：

  WO2008/89034

  摘要：

  公开号：
• 作为产物：
  描述：

  [4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-oxo-acetyl chloride 、 5-叔丁基-2-甲氧基苯胺 在 碳酸氢钠 作用下， 以 乙酸乙酯 为溶剂， 反应 16.0h， 生成 N-(5-tert-butyl-3-cyano-2-methoxyphenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide
  参考文献：
  名称：

  Optimization of α-ketoamide based p38 inhibitors through modifications to the region that binds to the allosteric site

  摘要：

  We have optimized a novel series of potent p38 MAP kinase inhibitors based on an alpha-ketoamide scaffold through structure based design that due to their extended molecular architecture bind, in addition to the ATP site, to an allosteric pocket. In vitro ADME, in vivo PK and efficacy studies show these compounds to have drug-like characteristics and have resulted in the nomination of a development candidate which is currently in phase II clinical trials for the oral treatment of inflammatory conditions. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.102

文献信息

• Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds
  申请人：MacDonald James E.

  公开号：US20110117055A1

  公开（公告）日：2011-05-19

  Provided herein are hepatitis C virus entry inhibitor oxoacetamide compounds, pharmaceutical compositions thereof, and methods for their use in treatment or prevention of hepatitis C virus infection in a subject in need thereof.

  本文提供了丙型肝炎病毒进入抑制剂羟基乙酰胺化合物，其药物组合物，以及在需要的受试者中用于治疗或预防丙型肝炎病毒感染的方法。
• [EN] CYTOKINE INHIBITORS<br/>[FR] INHIBITEURS DE CYTOKINE
  申请人：KEMIA INC

  公开号：WO2008089034A2

  公开（公告）日：2008-07-24

  [EN] The present invention provides low molecular weight compounds useful as cytokine inhibitors, and compositions thereof. In particular, compounds of the invention are useful as anti-inflammatory agents. There are further provided methods for the preparation of such agents and their use in preventing or treating conditions mediated by cytokines, such as for example arthritis, pain, cardiovascular disease and cancer.
  [FR] La présente invention concerne des composés de faible masse moléculaire utiles comme inhibiteurs de cytokine et des compositions de ceux-ci. En particulier, des composés de l'invention sont utiles comme agents anti-inflammatoires. Il est en outre proposé des procédés pour la préparation de tels agents et leur utilisation pour la prévention ou le traitement d'affections véhiculées par des cytokines, telles que par exemple l'arthrite, la douleur, la maladie cardiovasculaire et le cancer.
• [EN] METHODS OF TREATING HEPATITIS C VIRUS WITH OXOACETAMIDE COMPOUNDS<br/>[FR] MÉTHODES DE TRAITEMENT DU VIRUS DE L'HÉPATITE C AVEC DES COMPOSÉS D'OXO-ACÉTAMIDE
  申请人：ITHERX PHARMACEUTICALS INC

  公开号：WO2011063076A1

  公开（公告）日：2011-05-26

  Provided herein are hepatitis C virus entry inhibitor oxoacetamide compounds, pharmaceutical compositions thereof, and methods for their use in treatment or prevention of hepatitis C virus infection in a subject in need thereof.
• WO2008/89034
  申请人：——

  公开号：——

  公开（公告）日：——
• Optimization of α-ketoamide based p38 inhibitors through modifications to the region that binds to the allosteric site
  作者：Antonio Garrido Montalban、Erik Boman、Chau-Dung Chang、Susana Conde Ceide、Russell Dahl、David Dalesandro、Nancy G.J. Delaet、Eric Erb、Justin T. Ernst、Andrew Gibbs、Jeffrey Kahl、Linda Kessler、Jeff Kucharski、Christopher Lum、Jan Lundström、Stephen Miller、Hiroshi Nakanishi、Edward Roberts、Eddine Saiah、Robert Sullivan、Jan Urban、Zhijun Wang、Christopher J. Larson

  DOI：10.1016/j.bmcl.2010.06.102

  日期：2010.8

  We have optimized a novel series of potent p38 MAP kinase inhibitors based on an alpha-ketoamide scaffold through structure based design that due to their extended molecular architecture bind, in addition to the ATP site, to an allosteric pocket. In vitro ADME, in vivo PK and efficacy studies show these compounds to have drug-like characteristics and have resulted in the nomination of a development candidate which is currently in phase II clinical trials for the oral treatment of inflammatory conditions. (C) 2010 Elsevier Ltd. All rights reserved.