N-(benzyloxy)-2-bromobenzene-1-sulfonamide

• 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-(benzyloxy)-2-bromobenzene-1-sulfonamide
• 英文别名: N-benzyloxy-2-bromo-benzenesulfonamide；2-bromo-N-phenylmethoxybenzenesulfonamide
• 化学式: C₁₃H₁₂BrNO₃S
• mdl: MFCD21370483
• 分子量: 342.213
• InChiKey: HOOBKHGRGVPCEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(benzyloxy)-2-bromobenzene-1-sulfonamide 、 苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 palladium 10% on activated carbon 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 20.0~130.0 ℃ 、101.33 kPa 条件下， 反应 0.25h， 生成 biphenyl-2-yl-N-hydroxysulfonamide
  参考文献：
  名称：

  WO2007/109175

  摘要：

  公开号：
• 作为产物：
  描述：

  2-溴苯磺酰氯 在 potassium carbonate 作用下， 以 甲醇 、 水 、 四氢呋喃 为溶剂， 反应 0.08h， 以90%的产率得到N-(benzyloxy)-2-bromobenzene-1-sulfonamide
  参考文献：
  名称：

  WO2007/109175

  摘要：

  公开号：

文献信息

• [EN] N-HYDROXYLSULFONAMIDE DERIVATIVES AS NITROXYL DONORS<br/>[FR] DÉRIVÉS N-HYDROXYLSULFONAMIDE UTILISÉS COMME DONNEURS DE NITROXYLE
  申请人：CARDIOXYL PHARMACEUTICALS INC

  公开号：WO2017070084A1

  公开（公告）日：2017-04-27

  The disclosed subject matter provides N- hydroxylsulfonamide derivative compounds of formulae (I), (II) or (III) as drawn below, pharmaceutical compositions comprising such compounds, kits comprising such compounds, and methods of using such compounds or pharmaceutical compositions. In particular, the disclosed subject matter provides methods of using such compounds or pharmaceutical compositions for treating heart failure.

  所披露的主题提供了如下所示的式(I)、(II)或(III)的N-羟基磺酰胺衍生物化合物，包括这些化合物的药物组合物、包含这些化合物的试剂盒，以及使用这些化合物或药物组合物的方法。具体而言，所披露的主题提供了使用这些化合物或药物组合物治疗心力衰竭的方法。
• N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors
  申请人：Johns Hopkins University School of Medicine

  公开号：EP2489350A1

  公开（公告）日：2012-08-22

  The invention relates to N-hydroxysulfonamide derivatives that donate nitroxyl (HNO) under physiological conditions and are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure and ischemia/reperfusion injury. Novel N-hydroxysulfonamide derivatives release NHO at a controlled rate under physiological conditions, and the rate of HNO release is modulated by varying the nature and location of functional groups on the N-hydroxysulfonamide derivatives.

  本发明涉及N-羟基磺酰胺衍生物，该衍生物可在生理条件下捐献硝酰（HNO），并可用于治疗和/或预防对硝酰治疗有反应的疾病或病症的发生和/或发展，包括心力衰竭和缺血/再灌注损伤。新型 N- 羟基磺酰胺衍生物可在生理条件下以可控速率释放 NHO，HNO 释放速率可通过改变 N- 羟基磺酰胺衍生物上官能团的性质和位置来调节。
• N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS
  申请人：The Johns Hopkins University

  公开号：EP3124471A1

  公开（公告）日：2017-02-01

  The invention relates to N-hydroxysulfonamide derivatives that donate nitroxyl (HNO) under physiological conditions and are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure and ischemia/reperfusion injury. Novel N-hydroxysulfonamide derivatives release NHO at a controlled rate under physiological conditions, and the rate of HNO release is modulated by varying the nature and location of functional groups on the N-hydroxysulfonamide derivatives.

  本发明涉及N-羟基磺酰胺衍生物，该衍生物可在生理条件下捐献硝酰（HNO），并可用于治疗和/或预防对硝酰治疗有反应的疾病或病症的发生和/或发展，包括心力衰竭和缺血/再灌注损伤。新型 N- 羟基磺酰胺衍生物可在生理条件下以可控速率释放 NHO，HNO 释放速率可通过改变 N- 羟基磺酰胺衍生物上官能团的性质和位置来调节。
• N-hydroxylsulfonamide derivatives as nitroxyl donors
  申请人：Cardioxyl Pharmaceuticals, Inc.

  公开号：US10730828B2

  公开（公告）日：2020-08-04

  The disclosed subject matter provides N-hydroxylsulfonamide derivative compounds of formulae (I), (II) or (III) as drawn below, pharmaceutical compositions comprising such compounds, kits comprising such compounds, and methods of using such compounds or pharmaceutical compositions. In particular, the disclosed subject matter provides methods of using such compounds or pharmaceutical compositions for treating heart failure.

  所公开的主题提供了如下式(I)、(II)或(III)的N-羟基磺酰胺衍生物化合物、包含此类化合物的药物组合物、包含此类化合物的试剂盒以及使用此类化合物或药物组合物的方法。特别是，所公开的主题提供了使用此类化合物或药物组合物治疗心力衰竭的方法。
• N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors
  申请人：Toscano John P.

  公开号：US20110306614A1

  公开（公告）日：2011-12-15

  The invention relates to N-hydroxysulfonamide derivatives that donate nitroxyl (HNO) under physiological conditions and are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure and ischemia/reperfusion injury. Novel N-hydroxysulfonamide derivatives release NHO at a controlled rate under physiological conditions, and the rate of HNO release is modulated by varying the nature and location of functional groups on the N-hydroxysulfonamide derivatives.