2-(乙酰氧基)苯甲酸4-(氯甲基)苯基酯 | 410071-22-6

• 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
• 中文名称: 2-(乙酰氧基)苯甲酸4-(氯甲基)苯基酯
• 英文名称: 2-(acetyloxy)benzoic acid 4-(chloromethyl) phenyl ester
• 英文别名: 2-(acetyloxy)benzoic acid 4-(chloromethyl)phenyl ester；[4-(chloromethyl)phenyl] 2-acetyloxybenzoate
• CAS: 410071-22-6
• 化学式: C₁₆H₁₃ClO₄
• 分子量: 304.73
• InChiKey: HPVHLAMKCLTACJ-UHFFFAOYSA-N

物化性质

• 熔点：
  110-113 °C
• 沸点：
  452.9±35.0 °C(Predicted)
• 密度：
  1.279±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、可溶于二氯甲烷、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(乙酰氧基)苯甲酸4-(氯甲基)苯基酯 以 AgNO₃*acetonitrile 为溶剂， 生成 2-(乙酰基氧基)-4-[(硝基氧基)甲基]苯甲酸苯酯
  参考文献：
  名称：

  Nitroderivatives as drugs for diseases having an inflammatory basis

  摘要：

  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。

  公开号：

  US20040023933A1
• 作为产物：
  描述：

  阿司匹林 在 palladium on activated charcoal 吡啶 、 氯化亚砜 、 氢气 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 6.0h， 生成 2-(乙酰氧基)苯甲酸4-(氯甲基)苯基酯
  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

• [EN] COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES<br/>[FR] COMPOSÉS UTILES DANS LE TRAITEMENT DE MALADIES NÉOPLASIQUES
  申请人：UNIVERSITÄT ZU KÖLN

  公开号：WO2015044177A1

  公开（公告）日：2015-04-02

  The present invention refers to compounds of formula: (formula A), wherein R1 is selected from (formula I), (formula II), (formula (III), (formula IV), (formula V), or (formula B), and wherein R2, R3, R4 and R5 are as defined in the claims and X is OTBS, hydroxy, formyloxy, acetoxy, nitrooxy, nitrooxymethyl, or a halogen; and pharmaceutically acceptable salts thereof, which are useful in the treatment of neoplastic or proliferative disorders, a pharmaceutical composition comprising such a compound and a method preparing this compound.

  本发明涉及以下式的化合物：（式A），其中R1从（式I），（式II），（式III），（式IV），（式V）或（式B）中选择，并且其中R2，R3，R4和R5如权利要求中定义的那样，X为OTBS，羟基，甲酰氧基，乙酰氧基，硝基氧基，硝基甲氧基或卤素；及其药学上可接受的盐，用于治疗肿瘤性或增生性疾病，包括这种化合物的药物组合物和制备该化合物的方法。
• Drugs for diabetes
  申请人：——

  公开号：US20040023890A1

  公开（公告）日：2004-02-05

  Use for the diabetes treatment of compounds or salts thereof, having the following general formula (I): A-(B) b0 —(C) c0 —NO 2 wherein A contains the radical of a drug having an antiiflammatory or analgesic activity, B is a bivalen: linking group wherein the precursor must meet the tests described in the application, C is a a bivalent linking group as defined in the invention.

  用于治疗糖尿病的化合物或其盐，具有如下通用公式（I）：A-(B) b0 —(C) c0 —NO 2 其中A含有具有抗炎或镇痛活性的药物的自由基，B是一个双价连接基团，其中前体必须符合本申请中描述的测试，C是如发明中定义的双价连接基团。
• Compounds and compositions for treating dysproliferative diseases, and methods of use thereof
  申请人：Kashfi Khosrow

  公开号：US20050182134A1

  公开（公告）日：2005-08-18

  Compounds are disclosed with activity towards killing dysproliferative cells in vitro and treating cancer in vivo. Cancers such as cancer of the colon, pancreas, prostate, lung, breast, urinary bladder, skin and liver are exemplary. Compounds, pharmaceutical compositions and methods of use are described.

  揭示了具有对体外杀灭异常增殖细胞活性的化合物，并用于治疗体内癌症。癌症如结肠癌、胰腺癌、前列腺癌、肺癌、乳腺癌、膀胱癌、皮肤癌和肝癌是示例。描述了化合物、药物组合物和使用方法。
• [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。
• 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。