Inhibitor of HIV-1 reverse transcriptase:: N′-(5-bromo-2-pyridyl)-N-[2-(2,5-di-methoxyphenyl)ethyl] thiourea

被引：22

作者：

Sudbeck, EA

Jennissen, JD

Venkatachalam, TK

Ucukun, FM

机构：

[1] Hughes Inst, Dept Biol Struct, Drug Discovery Program, St Paul, MN USA

[2] Hughes Inst, Dept Chem, Drug Discovery Program, St Paul, MN USA

[3] Hughes Inst, Dept Virol, Drug Discovery Program, St Paul, MN USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1999年 / 55卷

关键词：

D O I：

10.1107/S0108270199012044

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The crystal structure of the title compound, C16H18BrN3O2S (HI-236), a potent non-nucleoside inhibitor of HIV-1 reverse transcriptase, revealed an intramolecular hydrogen bond between a thiourea N atom and the pyridyl-N atom [N-H ... N = 2.671(3) Angstrom, graph-set motif S-1(1)(6)] that imparts a more rigid conformation to the molecule. A second hydrogen bond between a thiourea N atom and the thiocarbonyl-S atom [N-H-2... S = 3.403(2) Angstrom, graph-set motif R-2(2)(8)] was observed between inversion-related molecules of HI-236. The first-level hydrogen-bond graph-set notation for HI-236 was determined to be St(6)R-2(2)(8).

引用

页码：2122 / 2124

页数：3

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