5-(4-甲氧基苯基)-3,5-二氧代戊烷酸 | 36568-15-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-(4-甲氧基苯基)-3,5-二氧代戊烷酸
• 英文名称: 5-(4-methoxyphenyl)-3,5-dioxopentanoic acid
• CAS: 36568-15-7
• 化学式: C₁₂H₁₂O₅
• 分子量: 236.224
• InChiKey: FMBVOMQOZSWXLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090

反应信息

• 作为产物：
  描述：

  4-甲氧基苯甲酸甲酯 在 盐酸 作用下， 生成 5-(4-甲氧基苯基)-3,5-二氧代戊烷酸
  参考文献：
  名称：

  β-酮酯二价阴离子的酰化

  摘要：

  已经开发了一种成功酰化简单 β-酮酯的二价阴离子以产生 β,δ-二酮酯的方法。乙酰乙酸甲酯的双阴离子也与甲基的单阴离子反应...

  DOI：

  10.1139/v74-205

文献信息

• Synthesis and biological evaluation of novel pyrazole derivatives with anticancer activity
  作者：Alessandro Balbi、Maria Anzaldi、Chiara Macciò、Cinzia Aiello、Mauro Mazzei、Rosaria Gangemi、Patrizio Castagnola、Mariangela Miele、Camillo Rosano、Maurizio Viale

  DOI：10.1016/j.ejmech.2011.08.014

  日期：2011.11

  We synthesized thirty-six novel pyrazole derivatives and studied their antiproliferative activity in human ovarian adenocarcinoma A2780 cells, human lung carcinoma A549 cells, and murine P388 leukemia cells.Four of these substances were selected because of their higher antiproliferative activity and further analyses showed that they were all able to induce apoptosis, although to a different extent. The expression of p53 and p21(waf1), which induce apoptosis and cell cycle arrest, was evaluated by western blot analysis in cells treated with compound 12d.The analysis of the cell cycle showed that all the selected compounds cause a partial G2/M block and the formation of polyploid cells. Furthermore, the four selected compounds were tested for their interaction with the microtubular cytoskeletal system by docking analysis, tubulin polymerization assay and immunofluorescence staining, demonstrating that the compound 12d, unlike the other active derivatives, was able to significantly bind dimers of alpha- and beta-tubulin, probably causing a molecular distortion resulting in the disassembly of microtubules. (C) 2011 Elsevier Masson SAS. All rights reserved.
• The Acylation of β-Keto Ester Dianions
  作者：Stuart Nicholas Huckin、Larry Weiler

  DOI：10.1139/v74-205

  日期：1974.4.15

  A method for the successful acylation of the dianion of simple β-keto esters to yield β,δ-diketo esters has been developed. The dianion of methyl acetoacetate also reacts with the monoanion of meth...

  已经开发了一种成功酰化简单 β-酮酯的二价阴离子以产生 β,δ-二酮酯的方法。乙酰乙酸甲酯的双阴离子也与甲基的单阴离子反应...