Synthetic Hosts for Molecular Recognition of Ureas∥

被引：15

作者：

Santa Maria, Dolores ^{[1
]}

Angeles Farran, M. ^{[1
]}

Angeles Garcia, M. ^{[1
]}

Pinilla, Elena ^{[2
]}

Rosario Torres, M. ^{[2
]}

Elguero, Jose ^{[3
]}

Claramunt, Rosa M. ^{[1
]}

机构：

[1] UNED, Fac Ciencias, Dept Quim Organ & Bioorgan, E-28040 Madrid, Spain

[2] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Inorgan 1, CAI Difracc Rayos 10, E-28040 Madrid, Spain

[3] Ctr Quim Organ Manuel Lora Tamayo, CSIC, Inst Quim Med, E-28006 Madrid, Spain

来源：

JOURNAL OF ORGANIC CHEMISTRY | 2011年 / 76卷 / 16期

关键词：

ARTIFICIAL RECEPTORS; ANION-BINDING; SOLID-STATE; UREA; DERIVATIVES; BIOTIN; DESIGN; ACID; TOLBUTAMIDE; CHLOROFORM;

D O I：

10.1021/jo201191x

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Four hosts (7-10) containing 2,6-bisamidopyridine- and 2,5-bisamidopyrrole-bearing pyridyl or 1,8-naphthyridyl groups have been prepared and their structures studied by a combination of multinuclear NMR spectroscopy and X-ray crystallography. Their behavior in molecular recognition of urea derivatives, including (+)-biotin methyl ester, has been approached by molecular modeling (Monte Carlo conformational search, AMBER force field). The minimum energy values for the complexes are correlated with the experimental binding energies determined by means of H-1 NMR titrations.

引用

页码：6780 / 6788

页数：9

共 41 条

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