6-[N,N-bis(ethyloic)carbamoyl]pyridine-2-carboxylic acid | 1408001-73-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-[N,N-bis(ethyloic)carbamoyl]pyridine-2-carboxylic acid
• 英文别名: 6-[Bis(carboxymethyl)carbamoyl]pyridine-2-carboxylic acid；6-[bis(carboxymethyl)carbamoyl]pyridine-2-carboxylic acid
• CAS: 1408001-73-9
• 化学式: C₁₁H₁₀N₂O₇
• 分子量: 282.21
• InChiKey: NOXDHOISWFQHBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-[N,N-bis(ethyloic)carbamoyl]pyridine-2-carboxylic acid 在 terbium(III) chloride hexahydrate 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 12.17h， 生成
  参考文献：
  名称：

  Synthesis, luminescence properties of Eu(III) and Tb(III) complexes with a novel aromatic carboxylic acid and their interactions with bovine serum albumin

  摘要：

  A novel aromatic carboxylic acid ligand (L) was synthesized and its corresponding Eu(III) and Tb(III) complexes, Na3EuLCl3 center dot 2H(2)O (EuL) and Na3TbLCl3 center dot 3H(2)O (TbL), were successfully prepared. L and its corresponding complexes were characterized by means of MS, elemental analysis, IR, H-1 NMR and TG. The luminescence spectra of Eu(III) and Tb(III) complexes were investigated and the results showed that L was an efficient sensitizer for Eu(III) and Tb(III) luminescence. The interactions of L, EuL and TbL with bovine serum albumin (BSA) have been investigated through fluorescence spectroscopy under physiological conditions. The Stern-Volmer analysis indicated that the fluorescence quenching of BSA by L, EuL and TbL was resulted from static mechanism, and the binding constants (K-a) were 2.22 x 10(4), 1.33 x 10(5) and 4.27 x 10(5) at 300 K, respectively. The binding sites (n) and the corresponding thermodynamic parameters Delta H, Delta S, and Delta G were calculated at different temperatures. According to the theoretical and experimental results, van der Waals interactions and hydrogen bonds were found to play major roles in the binding reaction. Furthermore, UV-Vis absorption spectroscopy and synchronous fluorescence spectra indicated that the conformation of BSA was changed. The results obtained in the work can help understand the action mode between L and its corresponding Eu(III) and Tb(III) complexes with BSA, and they are also expected to provide important information of designs of new inspired drugs based on Eu and Tb. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.08.060
• 作为产物：
  描述：

  吡啶-2.6-二羧酸二甲酯 在 氯化亚砜 、 水 、 三乙胺 、 N,N-二甲基甲酰胺 、 potassium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 54.0h， 生成 6-[N,N-bis(ethyloic)carbamoyl]pyridine-2-carboxylic acid
  参考文献：
  名称：

  Synthesis, luminescence properties of Eu(III) and Tb(III) complexes with a novel aromatic carboxylic acid and their interactions with bovine serum albumin

  摘要：

  A novel aromatic carboxylic acid ligand (L) was synthesized and its corresponding Eu(III) and Tb(III) complexes, Na3EuLCl3 center dot 2H(2)O (EuL) and Na3TbLCl3 center dot 3H(2)O (TbL), were successfully prepared. L and its corresponding complexes were characterized by means of MS, elemental analysis, IR, H-1 NMR and TG. The luminescence spectra of Eu(III) and Tb(III) complexes were investigated and the results showed that L was an efficient sensitizer for Eu(III) and Tb(III) luminescence. The interactions of L, EuL and TbL with bovine serum albumin (BSA) have been investigated through fluorescence spectroscopy under physiological conditions. The Stern-Volmer analysis indicated that the fluorescence quenching of BSA by L, EuL and TbL was resulted from static mechanism, and the binding constants (K-a) were 2.22 x 10(4), 1.33 x 10(5) and 4.27 x 10(5) at 300 K, respectively. The binding sites (n) and the corresponding thermodynamic parameters Delta H, Delta S, and Delta G were calculated at different temperatures. According to the theoretical and experimental results, van der Waals interactions and hydrogen bonds were found to play major roles in the binding reaction. Furthermore, UV-Vis absorption spectroscopy and synchronous fluorescence spectra indicated that the conformation of BSA was changed. The results obtained in the work can help understand the action mode between L and its corresponding Eu(III) and Tb(III) complexes with BSA, and they are also expected to provide important information of designs of new inspired drugs based on Eu and Tb. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.08.060

文献信息

• Synthesis, luminescence properties of Eu(III) and Tb(III) complexes with a novel aromatic carboxylic acid and their interactions with bovine serum albumin
  作者：Liqun Shen、Zhengfa Yang、Ruiren Tang

  DOI：10.1016/j.saa.2012.08.060

  日期：2012.12

  A novel aromatic carboxylic acid ligand (L) was synthesized and its corresponding Eu(III) and Tb(III) complexes, Na3EuLCl3 center dot 2H(2)O (EuL) and Na3TbLCl3 center dot 3H(2)O (TbL), were successfully prepared. L and its corresponding complexes were characterized by means of MS, elemental analysis, IR, H-1 NMR and TG. The luminescence spectra of Eu(III) and Tb(III) complexes were investigated and the results showed that L was an efficient sensitizer for Eu(III) and Tb(III) luminescence. The interactions of L, EuL and TbL with bovine serum albumin (BSA) have been investigated through fluorescence spectroscopy under physiological conditions. The Stern-Volmer analysis indicated that the fluorescence quenching of BSA by L, EuL and TbL was resulted from static mechanism, and the binding constants (K-a) were 2.22 x 10(4), 1.33 x 10(5) and 4.27 x 10(5) at 300 K, respectively. The binding sites (n) and the corresponding thermodynamic parameters Delta H, Delta S, and Delta G were calculated at different temperatures. According to the theoretical and experimental results, van der Waals interactions and hydrogen bonds were found to play major roles in the binding reaction. Furthermore, UV-Vis absorption spectroscopy and synchronous fluorescence spectra indicated that the conformation of BSA was changed. The results obtained in the work can help understand the action mode between L and its corresponding Eu(III) and Tb(III) complexes with BSA, and they are also expected to provide important information of designs of new inspired drugs based on Eu and Tb. (C) 2012 Elsevier B.V. All rights reserved.