2-(4-乙酰氧基苯基)乙酸乙酯 | 89723-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 2-(4-乙酰氧基苯基)乙酸乙酯
• 英文名称: 4-Acetoxy-phenylessigsaeure-aethylester
• 英文别名: Ethyl [4-(acetyloxy)phenyl]acetate；ethyl 2-(4-acetyloxyphenyl)acetate
• CAS: 89723-32-0
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: MPRPOBZXHKBEAL-UHFFFAOYSA-N

物化性质

• 沸点：
  168-170 °C(Press: 12 Torr)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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-(4-乙酰氧基苯基)乙酸乙酯 生成 对羟基苯乙酸
  参考文献：
  名称：

  AM1 computational study on metabolites of 1,3-butadiene interstrand cross-linking DNA

  摘要：

  The alkylating reactions of 1,2-epoxy-3,4-butene (EB) and 1,2,3,4-diepoxybutane (DEB)-the important metabolites of rodent carcinogenic 1,3-butadiene, with adenine and cytosine and interaction with fragment of DNA on major groove-have been computed. Results show that there are little differences in activation energy between EB and DEB, so it is difficult to explain the fact that the mutagenicity of DEB is greater (about 100-fold) than that of EB by the ability of alkylation. It is also known that DEB can interstrand cross-link with DNA through two times alkylating reactions, whereas EB cannot. So this may contribute to the significant different genotoxicity of the two agents. Meanwhile, DEB can interstrand cross-link with many sequences of DNA in major groove vs. two in minor groove, which increases opportunity of interstrand cross-link with DNA in major groove. This difference may be the reason of base selection of DEB mutation. The deformation of some cross-linked DNA may also contribute to this selection to some degree.

  DOI：

  10.1007/bf02884674
• 作为产物：
  描述：

  乙醇 、 4-(2-diazoacetyl)-3-methoxyphenyl acetate 在 silver(l) oxide 作用下， 生成 2-(4-乙酰氧基苯基)乙酸乙酯
  参考文献：
  名称：

  ROHMANN; MEISEL, Archiv der Pharmazie, 1961, vol. 294 /66, p. 538 - 549

  摘要：

  DOI：

文献信息

• Natural products and derivatives thereof for protection against neurodegenerative diseases
  申请人：——

  公开号：US20030236202A1

  公开（公告）日：2003-12-25

  The invention relates to the use of phenolic compounds and derivatives thereof for protection against neurodegenerative diseases, to compositions comprising these compounds, and to some novel phenolic compounds.

  该发明涉及利用酚类化合物及其衍生物来保护免受神经退行性疾病的影响，涉及包含这些化合物的组合物，以及一些新型酚类化合物。
• NATURAL PHENOLIC PRODUCTS AND DERIVATIVES THEREOF FOR PROTECTION AGAINST NEURODEGENERATIVE DISEASES
  申请人：PULEVA BIOTECH, S.A.

  公开号：EP1494658B1

  公开（公告）日：2006-01-04
• [EN] NATURAL PHENOLIC PRODUCTS AND DERIVATIVES THEREOF FOR PROTECTION AGAINST NEURODEGENERATIVE DISEASES<br/>[FR] PRODUITS PHENOLIQUES NATURELS ET LEURS DERIVES PERMETTANT D'OBTENIR UNE PROTECTION CONTRE LES MALADIES NEURODEGENERATIVES
  申请人：PULEVA BIOTECH SA

  公开号：WO2003082259A1

  公开（公告）日：2003-10-09

  The invention relates to the use of phenolic compounds and derivatives thereof for protection against neurodegenerative diseases, to compositions comprising these compounds, and to some novel phenolic compounds.
• [EN] Aging-Related Circulating Particle-Associated Lipoprotein B Oxidase (apoBNOX) and Inhibitors Thereof<br/>[FR] LIPOPROTÉINE B OXYDASE ASSOCIÉE À UNE PARTICULE CIRCULANTE LIÉE À L'ÂGE (APOBNOX) ET INHIBITEURS DE CELLE-CI
  申请人：NOX TECHNOLOGIES INC

  公开号：WO2011109525A1

  公开（公告）日：2011-09-09

  Provided is an age-related apolipoprotein B oxidase (apoBNOX) found tightly associated with the low-density lipoprotein particles and believed to be responsible for oxidizing lipoprotein particles and initiating atherogenesis. It causes damage by directly oxidizing the apolipoprotein B protein and indirectly oxidizing the lipids in the particles due to superoxide formation by the apoBNOX and its conversion into hydrogen peroxide. apoBNOX activity is inhibited by tyrosol and hydroxytyrosol and components of white wine, important components of French and Mediterranean diets, which seem to be a very good source of inhibitors of the apolipoprotein B oxidase. Agents comprising at least one naturally-occurring apoBNOX inhibitor and compositions lessen, ameliorate or treat disorders and complications resulting from cell damage caused by oxidation of apolipoprotein B. Also provided is an assay system comprising recombinant apoBNOX or an equivalent peptide and apolipoprotein B purified from human sera as a model to screen for agents and supplements that lower apoBNOX activity when administered orally.