1-N,4-N-bis(2-methoxyethyl)-2,3-bis(phenylmethoxy)benzene-1,4-dicarboxamide | 882979-29-5

• 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: 1-N,4-N-bis(2-methoxyethyl)-2,3-bis(phenylmethoxy)benzene-1,4-dicarboxamide
• CAS: 882979-29-5
• 化学式: C₂₈H₃₂N₂O₆
• 分子量: 492.572
• InChiKey: WRBPLAHVAVXHJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  36
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[19-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,10,15,23-tetraoxo-12,13,25,26-tetrakis(phenylmethoxy)-3,6,9,16,19,22-hexazatricyclo[22.2.2.211,14]triaconta-1(26),11,13,24,27,29-hexaen-6-yl]ethyl]carbamate 、 1-N,4-N-bis(2-methoxyethyl)-2,3-bis(phenylmethoxy)benzene-1,4-dicarboxamide 在 三氟乙酸 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 35.25h， 以80%的产率得到4-N-(2-methoxyethyl)-1-N-[2-[19-[2-[[4-(2-methoxyethylcarbamoyl)-2,3-bis(phenylmethoxy)benzoyl]amino]ethyl]-2,10,15,23-tetraoxo-12,13,25,26-tetrakis(phenylmethoxy)-3,6,9,16,19,22-hexazatricyclo[22.2.2.211,14]triaconta-1(26),11,13,24,27,29-hexaen-6-yl]ethyl]-2,3-bis(phenylmethoxy)benzene-1,4-dicarboxamide
  参考文献：
  名称：

  A Macrocyclic Chelator with Unprecedented Th⁴⁺ Affinity

  摘要：

  A novel macrocyclic octadentate ligand incorporating terephthalamide binding units has been synthesized and evaluated for the chelation of Th(4+). The thorium complex was structurally characterized by X-ray diffraction and in solution with kinetic studies and spectrophotometric titrations. Dye displacement kinetic studies show that the ligand is a much more rapid chelator of Th(4+) than prevailing ligands (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid and diethylenetriaminepentaacetic acid). Furthermore, the resulting complex was found to have a remarkably high thermodynamic stability, with a formation constant of 10(54). These data support potential radiotherapeutic applications.

  DOI：

  10.1021/ja503456r
• 作为产物：
  描述：

  (2,3-bis(benzyloxy)-1,4-phenylene)bis((2-thioxothiazolidin-3-yl)methanone) 、 2-甲氧基乙胺 在 三乙胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 16.0h， 以91%的产率得到1-N,4-N-bis(2-methoxyethyl)-2,3-bis(phenylmethoxy)benzene-1,4-dicarboxamide
  参考文献：
  名称：

  A Macrocyclic Chelator with Unprecedented Th⁴⁺ Affinity

  摘要：

  A novel macrocyclic octadentate ligand incorporating terephthalamide binding units has been synthesized and evaluated for the chelation of Th(4+). The thorium complex was structurally characterized by X-ray diffraction and in solution with kinetic studies and spectrophotometric titrations. Dye displacement kinetic studies show that the ligand is a much more rapid chelator of Th(4+) than prevailing ligands (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid and diethylenetriaminepentaacetic acid). Furthermore, the resulting complex was found to have a remarkably high thermodynamic stability, with a formation constant of 10(54). These data support potential radiotherapeutic applications.

  DOI：

  10.1021/ja503456r

文献信息

• A Macrocyclic Chelator with Unprecedented Th⁴⁺ Affinity
  作者：Tiffany A. Pham、Jide Xu、Kenneth N. Raymond

  DOI：10.1021/ja503456r

  日期：2014.6.25

  A novel macrocyclic octadentate ligand incorporating terephthalamide binding units has been synthesized and evaluated for the chelation of Th(4+). The thorium complex was structurally characterized by X-ray diffraction and in solution with kinetic studies and spectrophotometric titrations. Dye displacement kinetic studies show that the ligand is a much more rapid chelator of Th(4+) than prevailing ligands (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid and diethylenetriaminepentaacetic acid). Furthermore, the resulting complex was found to have a remarkably high thermodynamic stability, with a formation constant of 10(54). These data support potential radiotherapeutic applications.