ethyl 2-(2,4-difluorophenyl)hydrazono-3-oxobutyrate | 121831-71-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-(2,4-difluorophenyl)hydrazono-3-oxobutyrate
• 英文别名: ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate
• CAS: 121831-71-8
• 化学式: C₁₂H₁₂F₂N₂O₃
• 分子量: 270.236
• InChiKey: VTHMWUUEJYDBHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.76
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2,4-difluorophenyl)hydrazono-3-oxobutyrate 、 1-(2-Adamantyl)biguanide hydrochloride 在 sodium methylate 作用下， 生成 N-Adamantan-2-yl-N'-{5-[(2,4-difluoro-phenyl)-hydrazono]-6-methyl-4-oxo-4,5-dihydro-pyrimidin-2-yl}-guanidine
  参考文献：
  名称：

  Eisa; Tantawy; El-Kerdawy, Pharmazie, 1991, vol. 46, # 3, p. 182 - 184

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二氟苯胺 、 乙酰乙酸乙酯 在 盐酸 、 sodium nitrite 、 sodium acetate 作用下， 以 乙醇 为溶剂， 生成 ethyl 2-(2,4-difluorophenyl)hydrazono-3-oxobutyrate
  参考文献：
  名称：

  Type II diabetes-related enzyme inhibition and molecular modeling study of a novel series of pyrazolone derivatives

  摘要：

  Inhibitors of alpha-amylase are targets for the development of novel drugs for the treatment of diabetes and obesity. Alpha amylase is an enzyme which increases the bio availability of glucose in the blood. Hence, the inhibition effects of alpha amylase of 2-[1-(4-isobutylphenyl)ethyl]-5-methyl-4-[2-(aryl-substituted)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one (4a-l) were investigated, among them compounds 4d, 4f, 4a, and 4g have displayed good inhibitory activity. The compounds with significant results were further evaluated for their molecular modeling study using in silico method. The new series of compounds were synthesized by solvent-free microwave irradiation method and were characterized by spectral and analytical data.

  DOI：

  10.1007/s00044-013-0846-3

文献信息

• Type II diabetes-related enzyme inhibition and molecular modeling study of a novel series of pyrazolone derivatives
  作者：Shobhitha Shetty、Balakrishna Kalluraya、Nithinchandra、S. K. Peethambar、Sandeep B. Telkar

  DOI：10.1007/s00044-013-0846-3

  日期：2014.6

  Inhibitors of alpha-amylase are targets for the development of novel drugs for the treatment of diabetes and obesity. Alpha amylase is an enzyme which increases the bio availability of glucose in the blood. Hence, the inhibition effects of alpha amylase of 2-[1-(4-isobutylphenyl)ethyl]-5-methyl-4-[2-(aryl-substituted)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one (4a-l) were investigated, among them compounds 4d, 4f, 4a, and 4g have displayed good inhibitory activity. The compounds with significant results were further evaluated for their molecular modeling study using in silico method. The new series of compounds were synthesized by solvent-free microwave irradiation method and were characterized by spectral and analytical data.
• Jois, H.S. Vidyashree; Kalluraya, Balakrishna; Babu, Indian Journal of Heterocyclic Chemistry, 2015, vol. 25, # 1, p. 7 - 10
  作者：Jois, H.S. Vidyashree、Kalluraya, Balakrishna、Babu、Bhagya、Chandrashekar

  DOI：——

  日期：——
• Eisa; Tantawy; El-Kerdawy, Pharmazie, 1991, vol. 46, # 3, p. 182 - 184
  作者：Eisa、Tantawy、El-Kerdawy

  DOI：——

  日期：——