N-(1,3-benzodioxol-5-yl)-4-bromophenylsulfonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(1,3-benzodioxol-5-yl)-4-bromophenylsulfonamide
• 英文别名: N-(1,3-benzodioxol-5-yl)-4-bromobenzenesulfonamide
• 化学式: C₁₃H₁₀BrNO₄S
• 分子量: 356.197
• InChiKey: BHMMKEDVSRNDRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(1,3-benzodioxol-5-yl)-4-bromophenylsulfonamide 在 三溴化硼 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 1.17h， 生成 N-(3,4-dihydroxyphenyl)-4-bromophenylsulfonamide
  参考文献：
  名称：

  Catechol-based matrix metalloproteinase inhibitors with additional antioxidative activity

  摘要：

  New catechol-containing chemical entities have been investigated as matrix metalloproteinase inhibitors as well as antioxidant molecules. The combination of the two properties could represent a useful feature due to the potential application in all the pathological processes characterized by increased proteolytic activity and radical oxygen species (ROS) production, such as inflammation and photoaging. A series of catechol-based molecules were synthesized and tested for both proteolytic and oxidative inhibitory activity, and the detailed binding mode was assessed by crystal structure determination of the complex between a catechol derivative and the matrix metalloproteinase-8. Surprisingly, X-ray structure reveals that the catechol oxygens do not coordinates the zinc atom.

  DOI：

  10.1080/14756366.2016.1217853
• 作为产物：
  描述：

  3,4-亚甲二氧基苯胺 、 4-溴苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 N-(1,3-benzodioxol-5-yl)-4-bromophenylsulfonamide
  参考文献：
  名称：

  Catechol-based matrix metalloproteinase inhibitors with additional antioxidative activity

  摘要：

  New catechol-containing chemical entities have been investigated as matrix metalloproteinase inhibitors as well as antioxidant molecules. The combination of the two properties could represent a useful feature due to the potential application in all the pathological processes characterized by increased proteolytic activity and radical oxygen species (ROS) production, such as inflammation and photoaging. A series of catechol-based molecules were synthesized and tested for both proteolytic and oxidative inhibitory activity, and the detailed binding mode was assessed by crystal structure determination of the complex between a catechol derivative and the matrix metalloproteinase-8. Surprisingly, X-ray structure reveals that the catechol oxygens do not coordinates the zinc atom.

  DOI：

  10.1080/14756366.2016.1217853

文献信息

• ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF
  申请人：Rigby Alan C.

  公开号：US20140088187A1

  公开（公告）日：2014-03-27

  The present invention relates to novel aryl sulfonamide compounds use of such compounds in the inhibition of androgen receptor and in the treatment of various diseases, disorders or conditions related to androgen receptor.

  本发明涉及新型芳基磺酰胺化合物，以及这些化合物在抑制雄激素受体和治疗与雄激素受体相关的各种疾病、障碍或病况中的应用。
• [EN] ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DU RÉCEPTEUR DES ANDROGÈNES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：BETH ISRAEL HOSPITAL

  公开号：WO2012082862A2

  公开（公告）日：2012-06-21

  The present invention relates to novel aryl sulfonamide compounds use of such compounds in the inhibition of angrogen receptor and in the treatment of various diseases, disorders or conditions related to androgen receptor.