4-acetylamino-N-hydroxybenzenesulfonamide | 100340-87-2

• 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: 4-acetylamino-N-hydroxybenzenesulfonamide
• 英文别名: 4-acetylamino-benzenesulfonohydroxamic acid；4-Acetamino-benzol-sulfonohydroxamsaeure-(1)；N-Acetyl-sulfanilsaeure-hydroxyamid；4-Acetylamino-benzolsulfonohydroxamsaeure；N-{4-[(hydroxyamino)sulfonyl]phenyl}-acetamide；N-[4-(hydroxysulfamoyl)phenyl]acetamide
• CAS: 100340-87-2
• 化学式: C₈H₁₀N₂O₄S
• mdl: MFCD16315329
• 分子量: 230.244
• InChiKey: UIBGOVKOYKPDFL-UHFFFAOYSA-N

物化性质

• 熔点：
  194-196 °C
• 密度：
  1.494±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-acetylamino-N-hydroxybenzenesulfonamide 在 盐酸 作用下， 生成 4-Amino-benzol-N-hydroxysulfonamid
  参考文献：
  名称：

  Substituted Sulfanilamides. III. N⁴-Acyl-N¹-hydroxy Derivatives

  摘要：

  DOI：

  10.1021/ja01865a052
• 作为产物：
  描述：

  对乙酰胺基苯磺酰氯 在 盐酸羟胺 、 水 、 sodium carbonate 作用下， 生成 4-acetylamino-N-hydroxybenzenesulfonamide
  参考文献：
  名称：

  Substituted Sulfanilamides. III. N⁴-Acyl-N¹-hydroxy Derivatives

  摘要：

  DOI：

  10.1021/ja01865a052

文献信息

• 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。
• Giuliano, Annali di Chimica Applicata, 1941, vol. 31, p. 522
  作者：Giuliano

  DOI：——

  日期：——
• N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors
  申请人：The Johns Hopkins University

  公开号：EP2586434B1

  公开（公告）日：2016-04-27
• COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS
  申请人：Pellecchia Maurizio

  公开号：US20100041653A1

  公开（公告）日：2010-02-18

  The present disclosure provides compounds having the general structure A or pharmaceutically acceptable salts thereof: R—X  (A) wherein R is an alkyl or aryl moiety comprising heterocyclic structures; and X is a metal-chelatin group selected from: This disclosure further provides a focused library of compounds for use in the discovery and design of metallo-enzyme inhibitors. This fragment-based approach provides an assembly of a library of low molecular weight compounds (MW<300 Da) containing a variety of potential metal-chelating groups. The identification of the inhibitory scaffolds among these compounds provides the initial hit fragments that may be optimized for affinity against a particular target using common medicinal chemistry, structure-based or NMR-based approaches.
• 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.