[2-(acetyloxy)benzoic acid 2-(nitrooxy methyl)phenyl ester]

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: [2-(acetyloxy)benzoic acid 2-(nitrooxy methyl)phenyl ester]
• 英文别名: 2-(acetyloxy)benzoic acid 2-(nitrooxymethyl)phenyl ester；2-acetoxybenzoic acid 2-[1-nitrooxymethyl]phenyl ester；2-acetoxybenzoic acid 2-(1-nitroxymethyl)phenyl ester；2-acetoxybenzoate 2-[-1-nitroxy-methyl]-phenyl ester；2-acetoxybenzoic acid 2-(nitrooxymethyl)phenyl ester；2-acetoxy-benzoate 2-(2-nitroxymethyl)phenyl ester；2-Acetyloxybenzoic Acid 3-Nitrooxymethylphenyl Ester；[2-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate
• 化学式: C₁₆H₁₃NO₇
• 分子量: 331.282
• InChiKey: SGYYAQBLQPNUIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  阿司匹林 在 palladium on activated charcoal 吡啶 、 氯化亚砜 、 氢气 、 silver nitrate 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 、 乙腈 为溶剂， 反应 14.0h， 生成 [2-(acetyloxy)benzoic acid 2-(nitrooxy methyl)phenyl ester]
  参考文献：
  名称：

  Nitric oxide-donating non-steroidal anti-inflammatory drugs: the case of nitroderivatives of aspirin

  摘要：

  Nitric oxide (NO) acts as a key signalling mechanism in a number of cells and tissues in the mammalian organism. Modulation of the biosynthesis of NO has emerged to be relevant to the treatment of a variety of human diseases. In the attempt to reduce the serious side effects of non-steroidal anti-inflammatory drugs (NSAIDs), especially in the gastrointestinal tract, a NO-releasing moiety has been linked to conventional NSAIDs. A prototypical example is that of NO-releasing derivatives of aspirin. Thanks to the cytoprotective action of NO such compounds do not produce gastric damage and are emerging as an interesting novel group of drugs for their unique pharmacological properties. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00055-2

文献信息

• Nitroderivatives as drugs for diseases having an inflammatory basis
  申请人：——

  公开号：US20040023933A1

  公开（公告）日：2004-02-05

  Use for the treatment of diseases having an inflammatory basis of compounds or salts thereof, having the following general formula (I): A-X t -L-(W) p —NO 2 wherein A contains the radical of a drug, X t and W arc bivalent radicals, L, is a covalent bond or oxygen, sulphur, NR tc wherein R tc is H or a C 1 -C 5 linear or branched alkyl.

  用于治疗具有炎症基础的疾病的化合物或其盐，具有以下一般公式（I）：A-X t -L-(W) p —NO 2 其中A含有药物的自由基，X t 和W是二价基团，L是共价键或氧、硫、NR tc ，其中R tc 是H或C 1 -C 5 的直链或支链烷基。
• [EN] NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS<br/>[FR] NITRODERIVES UTILES EN TANT QUE MEDICAMENTS DESTINES A DES MALADIES D'ORIGINE INFLAMMATOIRE
  申请人：NICOX SA

  公开号：WO2002030866A1

  公开（公告）日：2002-04-18

  Use for the treatment of diseases having an inflammatory basis of compounds or salts thereof, having the following general formula (I): A-X1-L-(W)p-NO2 wherein A contains the radical of a drug, X1 and W are bivalent radicals, L is a covalent bond or oxygen, sulphur, NR1c wherein R1c is H or a C1-C5 linear or branched alkyl.

  用于治疗具有炎症基础的疾病的化合物或其盐，其具有以下一般式（I）：A-X1-L-(W)p-NO2，其中A包含药物的基团，X1和W是二价基团，L是共价键或氧，硫，NR1c，其中R1c是H或C1-C5线性或支链烷基。
• [EN] SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES<br/>[FR] SYNTHESE D'ESTERS DE NITROXYMETHYLPHENYLE-ESTERS DE DERIVES DE L'ASPIRINE
  申请人：NICOX SA

  公开号：WO2000044705A1

  公开（公告）日：2000-08-03

  The invention describes a method for the synthesis of nitroxymethylphenyl esters of aspirin derivatives.

  本发明描述了一种合成阿司匹林衍生物的亚硝基甲基苯酯的方法。
• NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS
  申请人：DEL SOLDATO Piero

  公开号：US20080194651A1

  公开（公告）日：2008-08-14

  Use for the treatment of diseases having an inflammatory basis of compounds or salts thereof, Having the following general formula (I): A-X 1 -L-(W) p —NO 2 wherein A contains the radical of a drug, X 1 and W are bivalent radicals, L is a covalent bond or oxygen, sulphur, NR 1e wherein R 1e is H or a C 1 -C 5 linear or branched alkyl.

  用于治疗具有炎症基础的疾病的化合物或其盐，其具有以下通式（I）：A-X1-L-(W)p—NO2，其中A包含药物的基团，X1和W是双价基团，L是共价键或氧，硫，NR1，其中R1是H或C1-C5线性或支链烷基。
• NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS
  申请人：DEL SOLDATO Piero

  公开号：US20090075952A1

  公开（公告）日：2009-03-19

  Use for the treatment of diseases having an inflammatory basis of compounds or salts thereof, having the following general formula (I): A-X 1 -L-(W) p -NO 2 wherein A contains the radical of a drug, X 1 and W are bivalent radicals, L is a covalent bond or oxygen, sulphur, NR 1c wherein R 1c is H or a C 1 -C 5 linear or branched alkyl.

  用于治疗具有炎症基础的疾病的化合物或其盐，其具有以下一般式（I）：A-X1-L-（W）p-NO2，其中A包含药物的基团，X1和W是二价基团，L是共价键或氧，硫，NR1c，其中R1c是H或C1-C5线性或支链烷基。