Structure and activity studies of glycine receptor ligands: Part 6. The structure of ethyl-N-[(p-C1-benzylidene)-4-oxo-2-imidazolidyl]glycinate hydrochloride as the basis for a model of the ligand-receptor interaction

摘要

As part of our investigations of compounds with potential affinity to the glycine binding site of the NMDA receptor, the structure of ethyl-N-[(p-Cl-benzylidene)-4-oxo-2-imidazolidyl]glycinate hydrochloride is reported: C14H14N3O3Cl.x HCl; monoclinic; Pc; a = 5.015(1), b = 16.891(3), c = 10.160(2)Angstrom, beta = 101.76(3)degrees; V = 842.6(3)Angstrom(3); Z = 2; D-x = 1.357 g cm(-3); lambda(Cu K alpha) = 1.54178 Angstrom; mu = 36.0 mm(-1); final R = 0.0482 for 803 reflections [I > 4 sigma(I)]. The molecule was found to have a Z-configuration and three Cl ... H-N bonds were identified. These are believed to be crucial in interpreting the ligand-receptor interaction mode in the glycine-binding site. Searches of the IsoStar database were also used to help to justify the proposed model. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 23]