4-[双(乙酰氧基)甲基]苯磺酰胺 | 99856-72-1

• 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: 4-[双(乙酰氧基)甲基]苯磺酰胺
• 英文名称: 4-[bis(acetyloxy)methyl]benzenesulfonamide
• 英文别名: (4-sulfamoylphenyl)methylene diacetate；4-diacetoxymethyl-benzenesulfonic acid amide；4-Diacetoxymethyl-benzolsulfonsaeure-amid；[acetyloxy-(4-sulfamoylphenyl)methyl] acetate
• CAS: 99856-72-1
• 化学式: C₁₁H₁₃NO₆S
• 分子量: 287.293
• InChiKey: VYHXGBXXUYPTDZ-UHFFFAOYSA-N

物化性质

• 熔点：
  143-145 °C(Solv: ethanol (64-17-5))
• 沸点：
  451.2±55.0 °C(Predicted)
• 密度：
  1.378±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-[双(乙酰氧基)甲基]苯磺酰胺 在 哌啶 、 硫酸 、 水 作用下， 以 甲醇 为溶剂， 生成 3-[[4-(sulfamoyl)phenyl]methylene]indolin-2-one
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-[4-(amino/methylsulfonyl)phenyl]methylene-indolin-2-one derivatives as novel COX-1/2 and 5-LOX inhibitors

  摘要：

  Fourteen new 3-[4-(amino/methylsulfonyl) phenyl]methylene-indolin-2-one derivatives were synthesized. Six compounds displayed potent inhibitory activities against COX-1/2 and 5-LOX with IC(50) in the range of 0.10-9.87 mu M. Particularly, 10f exhibited well balanced inhibitory action on these enzymes (IC(50) = 0.10-0.56 mu M). More importantly, 10f and several other compounds had comparable or stronger anti-inflammatory and analgesic activities, but better gastric tolerability in vivo, as compared with darbufelone mesilate and tenidap sodium. Therefore, our findings may aid in the design of new and safe anti-inflammatory reagents for the intervention of painful inflammatory diseases, such as rheumatoid arthritis at clinic. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.056
• 作为产物：
  描述：

  乙酰氧基-(4-氯磺酰基苯基)乙酸甲酯 在 氨 作用下， 生成 4-[双(乙酰氧基)甲基]苯磺酰胺
  参考文献：
  名称：

  Sytschewa; Schtschukina, Sb. Statei Obshch. Khim., 1953, p. 527,529

  摘要：

  DOI：

文献信息

• [EN] DERIVATIVES OF PYRAZOLINE, PROCEDURE FOR OBTAINING THEM AND USE THEREOF AS THERAPEUTIC AGENTS<br/>[FR] DERIVES DE PYROZOLINE, LEUR PROCEDE D'OBTENTION ET LEUR UTILISATION EN TANT QU'AGENTS THERAPEUTIQUES
  申请人：ESTEVE LABOR DR

  公开号：WO2006011005A1

  公开（公告）日：2006-02-02

  The invention relates to derivatives of general formula (I), and to their pharmaceutically acceptable salts, their stereoisomeric forms, preferably their pure enantiomeric or diastereomeric forms and their racemic forms, or a mixture thereof in any mixture ratio, and their N-oxides and the corresponding solvates or hydrates, to the processes for obtaining said derivatives and to the pharmaceutical compositions which contain them. Said derivatives are useful as anti-inflammatory and analgesic agents. In which R and R1 are different from each other and are selected from H and.

  这项发明涉及通式（I）的衍生物，以及它们的药用盐、立体异构体形式，最好是它们的纯对映体或二对映体形式以及它们的消旋形式，或在任何混合比例中的混合物，以及它们的N-氧化物和相应的溶剂合物或水合物，以及获取这些衍生物的过程以及含有它们的药物组合物。这些衍生物可用作抗炎和镇痛剂。其中R和R1彼此不同，并且选自H。
• [EN] CRYOPYRIN INHIBITORS FOR PREVENTING AND TREATING INFLAMMATION<br/>[FR] INHIBITEURS DE CRYOPYRINES POUR PRÉVENIR ET TRAITER L'INFLAMMATION
  申请人：UNIV VIRGINIA COMMONWEALTH

  公开号：WO2014190015A1

  公开（公告）日：2014-11-27

  Inhibitors that are anti-inflammatory agents are provided, as are methods of using the analogs to inhibit inflammation and prevent or treat diseases and conditions associated with inflammation, such as heart failure and autoimmune diseases.

  提供了具有抗炎作用的抑制剂，以及使用类似物抑制炎症并预防或治疗与炎症相关的疾病和病况的方法，如心力衰竭和自身免疫性疾病。
• CRYOPYRIN INHIBITORS FOR PREVENTING AND TREATING INFLAMMATION
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：US20160052876A1

  公开（公告）日：2016-02-25

  Inhibitors that are anti-inflammatory agents are provided, as are methods of using the analogs to inhibit inflammation and prevent or treat diseases and conditions associated with inflammation, such as heart failure and autoimmune diseases.

  提供了具有抗炎作用的抑制剂，以及使用类似物来抑制炎症并预防或治疗与炎症相关的疾病和情况，例如心力衰竭和自身免疫疾病的方法。
• Cryopyrin inhibitors for preventing and treating inflammation
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：US10343985B2

  公开（公告）日：2019-07-09

  Inhibitors that are anti-inflammatory agents are provided, as are methods of using the analogs to inhibit inflammation and prevent or treat diseases and conditions associated with inflammation, such as heart failure and autoimmune diseases.

  提供了抗炎剂抑制剂，以及使用类似物抑制炎症、预防或治疗与炎症有关的疾病和病症（如心力衰竭和自身免疫性疾病）的方法。
• Sekikawa; Kakimoto, Nippon Kagaku Zasshi, 1952, vol. 73, p. 587
  作者：Sekikawa、Kakimoto

  DOI：——

  日期：——