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
收藏
页码：2122 / 2124
页数：3
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