2-(4-methylphenyl)-3-(N-acetyl)-5-(2,4-dichlorophenoxymethyl)-1,3,4-oxodiazoline | 932980-97-7

• 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: 2-(4-methylphenyl)-3-(N-acetyl)-5-(2,4-dichlorophenoxymethyl)-1,3,4-oxodiazoline
• 英文别名: 1-{5-[(2,4-Dichlorophenoxy)methyl]-2-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-YL}ethan-1-one；1-[5-[(2,4-dichlorophenoxy)methyl]-2-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
• CAS: 932980-97-7
• 化学式: C₁₈H₁₆Cl₂N₂O₃
• 分子量: 379.243
• InChiKey: OOEKOUXHCJERBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(2,4-dichlorophenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide 、 乙酸酐 反应 9.0h， 生成 2-(4-methylphenyl)-3-(N-acetyl)-5-(2,4-dichlorophenoxymethyl)-1,3,4-oxodiazoline
  参考文献：
  名称：

  Investigation of the association behaviors between bovine serum albumin and 2-(4-methylphenyl)-3-(N-acetyl)-5-(2,4-dichlorophenoxymethyl)-1,3,4-oxodiazoline

  摘要：

  The study was designed to examine the interaction between 2-(4-methylphenyl)-3-(N-acetyl)-5-(2,4-dichlorophenoxymethyl)-1,3,4-oxodiazoline (MPNDO) and bovine serum albumin (BSA) under physiological conditions by using fluorescence spectroscopy, ultraviolet absorption spectroscopy, FT-IR spectroscopy and circular dichroism spectroscopy and atomic force microscope. Spectroscopic analysis of the fluorescence emission quenching and ultraviolet absorption revealed that the quenching mechanism of bovine serum albumin by MPNDO was static quenching procedure. The binding constant and binding sites number at different temperatures were measured. The average binding distances between donor (BSA) and acceptor (MPNDO) was estimated to be 1.46 nm (301 K), based on the Foster non-radioactive energy transfer theory. An average size of 3.1 nm had a high proportion and these dots might be ascribed to BSA, some other dots with an average size of 6.6 nm might result from BSA-MPNDO bioconjugates while the average diameter of MPNDO was 1.6 nm, which was reasonable to conclude that one BSA-MPNDO bioconjugates consisted of one BSA and one MPNDO. The thermodynamic parameters, enthalpy change (Delta H), entropy change (Delta S) and free energy change (Delta G) were calculated, which indicated that the action force was mainly van der Waals forces. The data collected through synchronous fluorescence, FT-IR spectroscopy and circular dichroism spectroscopy demonstrated that the conformation of BSA was not affected obviously in the presence of MPNDO. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.04.013

文献信息

• Investigation of the association behaviors between bovine serum albumin and 2-(4-methylphenyl)-3-(N-acetyl)-5-(2,4-dichlorophenoxymethyl)-1,3,4-oxodiazoline
  作者：Zhenzhong Huang、Ruiling Wang、Erwei Han、Lifan Xu、Yonghai Song

  DOI：10.1016/j.saa.2013.04.013

  日期：2013.7

  The study was designed to examine the interaction between 2-(4-methylphenyl)-3-(N-acetyl)-5-(2,4-dichlorophenoxymethyl)-1,3,4-oxodiazoline (MPNDO) and bovine serum albumin (BSA) under physiological conditions by using fluorescence spectroscopy, ultraviolet absorption spectroscopy, FT-IR spectroscopy and circular dichroism spectroscopy and atomic force microscope. Spectroscopic analysis of the fluorescence emission quenching and ultraviolet absorption revealed that the quenching mechanism of bovine serum albumin by MPNDO was static quenching procedure. The binding constant and binding sites number at different temperatures were measured. The average binding distances between donor (BSA) and acceptor (MPNDO) was estimated to be 1.46 nm (301 K), based on the Foster non-radioactive energy transfer theory. An average size of 3.1 nm had a high proportion and these dots might be ascribed to BSA, some other dots with an average size of 6.6 nm might result from BSA-MPNDO bioconjugates while the average diameter of MPNDO was 1.6 nm, which was reasonable to conclude that one BSA-MPNDO bioconjugates consisted of one BSA and one MPNDO. The thermodynamic parameters, enthalpy change (Delta H), entropy change (Delta S) and free energy change (Delta G) were calculated, which indicated that the action force was mainly van der Waals forces. The data collected through synchronous fluorescence, FT-IR spectroscopy and circular dichroism spectroscopy demonstrated that the conformation of BSA was not affected obviously in the presence of MPNDO. (C) 2013 Elsevier B.V. All rights reserved.