4-(4,4-dimethylpiperidin-1-yl)-N-[7-(2-phenylsulfanylethylsulfamoyl)naphthalen-2-yl]sulfonylbenzamide | 1182328-87-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(4,4-dimethylpiperidin-1-yl)-N-[7-(2-phenylsulfanylethylsulfamoyl)naphthalen-2-yl]sulfonylbenzamide
• CAS: 1182328-87-5
• 化学式: C₃₂H₃₅N₃O₅S₃
• 分子量: 637.845
• InChiKey: GBOLGNZBRGFDDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  155
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,7-萘二磺酰氯 在 甲醇 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 sodium azide 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 氯仿 、 水 、 丙酮 为溶剂， 反应 27.0h， 生成 4-(4,4-dimethylpiperidin-1-yl)-N-[7-(2-phenylsulfanylethylsulfamoyl)naphthalen-2-yl]sulfonylbenzamide
  参考文献：
  名称：

  [EN] ACYLSULFONAMIDES AND PROCESSES FOR PRODUCING THE SAME
  [FR] ACYLSULFONAMIDES ET PROCÉDÉS POUR PRODUIRE CEUX-CI

  摘要：

  公开号：

  WO2012021486A3

文献信息

• Acylsulfonamides and Processes for Producing the Same
  申请人：Manetsch Roman

  公开号：US20110130568A1

  公开（公告）日：2011-06-02

  The present disclosure relates to acylsulfonamides and processes for their preparation. The processes involve a target-guided synthesis approach, whereby a thioacid and a sulfonyl azide are reacted in the presence of a biological target protein, a Bcl-2 family protein, to form the acylsulfonamide.
• ACYLSULFONAMIDES AND PROCESSES FOR PRODUCING THE SAME
  申请人：Manetsch Roman

  公开号：US20130203709A1

  公开（公告）日：2013-08-08

  The present disclosure relates to acylsulfonamides and processes for their preparation. The processes involve a target-guided synthesis approach, whereby a thioacid and a sulfonyl azide are reacted in the presence of a biological target protein, a Bcl-2 family protein, to form the acylsulfonamide.
• Target Binding Molecules Identified by Kinetic Target-Guided Synthesis
  申请人：UNIVERSITY OF SOUTH FLORIDA (A FLORIDA NON-PROFIT CORPORATION)

  公开号：US20160116482A1

  公开（公告）日：2016-04-28

  Methods of identifying target binding molecules by target guided synthesis are provided. The methods include providing two or more fragments capable of reacting to form the target binding molecule and mixing the fragments with the target. The methods can be used to identify target binding molecules that bind targets such as proteins or nucleic acids, including those that bind shallow binding pockets on the surface of such targets. The methods are applied to the Bcl-XL and Mcl-1 proteins from the Bcl-2 family of proteins. Using thio acid and sulfonyl azide fragments capable of reacting through sulfo-click chemistry, new acyl sulfonamides are identified that bind one or both of the Bcl-XL and Mcl-1 proteins. Pharmaceutical formulations of these target binding molecules are also provided.
• US8524947B2
  申请人：——

  公开号：US8524947B2

  公开（公告）日：2013-09-03
• [EN] ACYLSULFONAMIDES AND PROCESSES FOR PRODUCING THE SAME<br/>[FR] ACYLSULFONAMIDES ET PROCÉDÉS DE PRODUCTION DE CES DERNIERS
  申请人：UNIV SOUTH FLORIDA

  公开号：WO2009105751A1

  公开（公告）日：2009-08-27

  The present disclosure relates to acylsulfonamides and processes for their preparation. The processes involve a target-guided synthesis approach, whereby a thioacid and a sulfonyl azide are reacted in the presence of a biological target protein, a Bcl-2 family protein, to form the acylsulfonamide.