N-乙酰氧基-N-乙酰基-4-氯苯磺酰胺 | 142867-52-5

• 物质功能分类: 有机原料 - 氨基化合物 - 酰胺类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-乙酰氧基-N-乙酰基-4-氯苯磺酰胺
• 英文名称: N-(4-chlorobenzenesulfonyl)-N-acetyloxy-acetamide
• 英文别名: N-acetyl-N-(acetyloxy)-4-chlorobenzenesulfonamide；N-acetyl-N-acetoxy-4-chlorobenzenesulfonamide；N-acetyl-N-acetoxy-4-chlorobenzenesulphonamide；[acetyl-(4-chlorophenyl)sulfonylamino] acetate
• CAS: 142867-52-5
• 化学式: C₁₀H₁₀ClNO₅S
• mdl: MFCD00467860
• 分子量: 291.712
• InChiKey: GWYBSWWLKXEDLB-UHFFFAOYSA-N

物化性质

• 熔点：
  119-122 °C
• 沸点：
  401.4±47.0 °C(Predicted)
• 密度：
  1.454±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  89.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  2924299090

反应信息

• 作为产物：
  描述：

  (acetyloxy)[(4-chlorophenyl)sulfonyl]carbamid acid 1,1-dimethylethyl ester 在 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 生成 N-乙酰氧基-N-乙酰基-4-氯苯磺酰胺
  参考文献：
  名称：

  Bis-Acylated Hydroxylamine Derivatives

  摘要：

  这项发明提供了某些双酰化羟胺衍生物化合物，包括这些化合物的药物组合物和试剂盒，以及使用这些化合物或药物组合物的方法。具体而言，该发明提供了使用这些化合物或药物组合物治疗、预防或延缓疾病或病况发生和/或发展的方法。在某些实施例中，疾病或病况可选自心血管疾病、缺血、再灌注损伤、癌症疾病、肺动脉高压和对亚硝酰治疗有反应的病况。

  公开号：

  US20110136827A1

文献信息

• Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions
  申请人：Kõster Hubert

  公开号：US20100248264A1

  公开（公告）日：2010-09-30

  Capture compounds and collections thereof and methods using the compounds for the analysis of biomolecules are provided. In particular, collections, compounds and methods are provided for analyzing complex protein mixtures, such as the proteome. The compounds are multifunctional reagents that provide for the separation and isolation of complex protein mixtures. Automated systems for performing the methods also are provided.

  提供了捕获化合物及其集合以及使用这些化合物进行生物分子分析的方法。特别地，提供了用于分析复杂蛋白质混合物（如蛋白质组）的集合、化合物和方法。这些化合物是多功能试剂，可用于分离和分离复杂的蛋白质混合物。还提供了执行这些方法的自动化系统。
• Method of treating cancerous disease
  申请人：——

  公开号：US20030068386A1

  公开（公告）日：2003-04-10

  This invention discloses a method of treating a patient having a cancerous disease comprising administering to the patient an effective amount of a composition capable of generating a hydroxyl radical, wherein the extracellular pH of the cancer cells is less than 7.0. Preferably, the method includes employing N-substituted hydroxyl amines as the composition capable of generating the hydroxyl radical.

  本发明公开了一种治疗癌症患者的方法，包括向患者施用有效量的能够产生羟基自由基的组合物，其中癌细胞的细胞外pH值小于7.0。优选地，该方法包括采用N-取代羟胺作为能够产生羟基自由基的组合物。
• Optimization of HNO Production from <i>N</i>,<i>O</i>-<i>bis</i>-Acylated Hydroxylamine Derivatives
  作者：Art D. Sutton、Morgan Williamson、Hilary Weismiller、John P. Toscano

  DOI：10.1021/ol203016c

  日期：2012.1.20

  A wide range of N,O-bis-acylated hydroxylamine derivatives with chloro or arenesulfonyl leaving groups, and a related set of N-hydroxy-N-acylsulfonamides, have been synthesized and evaluated for nitroxyl (HNO) production. Mechanistic studies have revealed that the observed aqueous chemistry is more complicated than originally anticipated, and have been used to develop a new series of efficient HNO precursors (4u-4x, 7c-7d) with tunable half-lives.
• Prodrugs of nitroxyl as inhibitors of aldehyde dehydrogenase
  作者：Melinda J. C. Lee、Herbert T. Nagasawa、James A. Elberling、Eugene G. DeMaster

  DOI：10.1021/jm00098a008

  日期：1992.10

  In the preceding paper, analogs of chlorpropamide with an OMe substituent on the sulfonamide nitrogen were shown to inhibit aldehyde dehydrogenase (AlDH), and it was postulated that these compounds were bioactivated by O-demethylation to release nitroxyl (HN=O, nitrosyl hydride), which is an inhibitor of AlDH. Further evidence for the production of nitroxyl from compounds with O-acyl instead of OMe on the sulfonamide nitrogen is now presented. Thus, nitrous oxide (N2O), the end product of nitroxyl dimerization and disproportionation, was found to be generated on alkaline or enzymatic hydrolysis of N,O-diacylated N-hydroxyarylsulfonamides. Since the latter compounds strongly inhibit yeast AlDH in vitro after bioactivation by an esterase intrinsic to this enzyme, nitroxyl generated from these compounds must be the common intermediate that inhibits AlDH.
• HAIR AND/OR EYELASH CARE COMPOSITION CONTAINING AMINEXIL IN COMBINATION WITH AN AGENT FOR PROMOTING THE NO PRODUCTION AND USES THEREOF
  申请人：L'Oréal

  公开号：EP1863431A1

  公开（公告）日：2007-12-12