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特波格雷,一种具有双重作用的药物,可拮抗血栓素受体并抑制血栓素合酶。

Terbogrel, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition.

作者信息

Michaux C, Norberg B, Dogné J M, Durant F, Masereel B, Delarge J, Wouters J

机构信息

Laboratoire de Chimie Moléculaire Structurale, Facultés Universitaires Notre-Dame de la Paix, 61 Rue de Bruxelles, B-5000 Namur, Belgium.

出版信息

Acta Crystallogr C. 2000 Oct;56 ( Pt 10):1265-6. doi: 10.1107/s0108270100009872.

DOI:10.1107/s0108270100009872
PMID:11025320
Abstract

Terbogrel, (E)-6-[4-(3-tert-butyl-2-cyanoguanidino)phenyl]-6-(3-pyridyl)hex-5 -enoic acid, C(23)H(27)N(5)O(2), a mixed thromboxane A(2) receptor antagonist and thromboxane A(2) synthase inhibitor, shows a hairpin-like conformation stabilized by an intramolecular hydrogen bond. A structural feature characteristic of the thromboxane A(2) synthase inhibitor mode is observed: a distance of 8.4257 (19) A between the pyridine N atom and the carboxyl group.

摘要

特波格雷,即(E)-6-[4-(3-叔丁基-2-氰基胍基)苯基]-6-(3-吡啶基)己-5-烯酸,化学式为C(23)H(27)N(5)O(2),是一种混合的血栓素A2受体拮抗剂和血栓素A2合酶抑制剂,呈现出由分子内氢键稳定的发夹状构象。观察到血栓素A2合酶抑制剂模式的一个结构特征:吡啶氮原子与羧基之间的距离为8.4257 (19) Å。

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