2-(4-(2-(bis(2-hydroxyethyl)amino)ethoxy)-naphthalen-1-yl)-N-(5-tert-butyl-2-methoxy-3-(methylsulfonamido)phenyl)-2-oxoacetamide | 1041051-56-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(4-(2-(bis(2-hydroxyethyl)amino)ethoxy)-naphthalen-1-yl)-N-(5-tert-butyl-2-methoxy-3-(methylsulfonamido)phenyl)-2-oxoacetamide
• 英文别名: 2-[4-[2-[bis(2-hydroxyethyl)amino]ethoxy]naphthalen-1-yl]-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide
• CAS: 1041051-56-2
• 化学式: C₃₀H₃₉N₃O₈S
• 分子量: 601.721
• InChiKey: QBISNYGDFHPMOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  42
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  163
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  、 二乙醇胺 以 乙腈 为溶剂， 生成 2-(4-(2-(bis(2-hydroxyethyl)amino)ethoxy)-naphthalen-1-yl)-N-(5-tert-butyl-2-methoxy-3-(methylsulfonamido)phenyl)-2-oxoacetamide
  参考文献：
  名称：

  Identification of nonabsorbable inhibitors of the scavenger receptor-BI (SR-BI) for tissue-specific administration

  摘要：

  The identification of a low-permeability scavenger receptor BI (SR-BI) inhibitor starting from the ITX-5061 template is described. Structure-activity and structure-permeability relationships were assessed for analogs leading to the identification of compound 8 as a potent and nonabsorbable SR-BI inhibitor. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.03.025

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.
• Identification of nonabsorbable inhibitors of the scavenger receptor-BI (SR-BI) for tissue-specific administration
  作者：Steven M. Sparks、Huiqiang Zhou、Claudia Generaux、Lindsey Harston、David Moncol、Channa Jayawickreme、Janet Parham、Patrick Condreay、Thomas Rimele

  DOI：10.1016/j.bmcl.2016.03.025

  日期：2016.4

  The identification of a low-permeability scavenger receptor BI (SR-BI) inhibitor starting from the ITX-5061 template is described. Structure-activity and structure-permeability relationships were assessed for analogs leading to the identification of compound 8 as a potent and nonabsorbable SR-BI inhibitor. (C) 2016 Elsevier Ltd. All rights reserved.