哒嗪酮类心血管药物的晶体结构和分子结构

Crystal and molecular structures of pyridazinone cardiovascular agents.

作者信息

Prout K, Bannister C, Burns K, Chen M, Warrington B H, Vinter J G

机构信息

Chemical Crystallography Laboratory, Oxford University, England.

出版信息

Acta Crystallogr B. 1994 Feb 1;50 ( Pt 1):71-85. doi: 10.1107/s0108768193005713.

DOI:10.1107/s0108768193005713

PMID:8148097

Abstract

The crystal and molecular structures of 11 6-substituted pyridazinone derivatives: 6-phenyl-3(2H)-pyridazinone-acetic acid (1/1) (1), 6-(4-aminophenyl)- 3(2H)-pyridazinone (2), 6-(4-aminophenyl)- 5-methyl-3(2H)-pyridazinone (3), 6-(4-acetamidophenyl)- 3(2H)-pyridazinone (4), 6-(4-acetamido-2- methoxyphenyl)-3(2H)-pyridazinone (5), 6-(2-aminophenyl)-3(2H)- pyridazinone (6), 6-phenyl-3(2H)- pyrazinone (7), 6-(4-aminophenyl)-4,5-dihydro- 3(2H)-pyridazinone (8), (R)-(-)-6[4-(3-bromopropionamido)phenyl]- 4,5-dihydro-5-methyl-3(2H)-pyridazinone (9), (R)-(-)-6-(4-ammoniophenyl)-4,5- dihydro-5-methyl-3(2H)-pyridazinone (-)-tartrate-dichloromethane-methanol (1/1/1) (10), 4,5-dihydro-6-methyl-3(2H)-pyridazinone (11) have been determined as part of a study to determine the relationship between their cardiovascular properties and molecular structure and dimensions. For the two optically resolved chiral derivatives (9) and (10) the absolute configuration has been determined.

摘要

11种6-取代哒嗪酮衍生物的晶体结构和分子结构：6-苯基-3(2H)-哒嗪酮-乙酸(1/1)(1)、6-(4-氨基苯基)-3(2H)-哒嗪酮(2)、6-(4-氨基苯基)-5-甲基-3(2H)-哒嗪酮(3)、6-(4-乙酰氨基苯基)-3(2H)-哒嗪酮(4)、6-(4-乙酰氨基-2-甲氧基苯基)-3(2H)-哒嗪酮(5)、6-(2-氨基苯基)-3(2H)-哒嗪酮(6)、6-苯基-3(2H)-吡嗪酮(7)、6-(4-氨基苯基)-4,5-二氢-3(2H)-哒嗪酮(8)、(R)-(-)-6[4-(3-溴丙酰胺基)苯基]-4,5-二氢-5-甲基-3(2H)-哒嗪酮(9)、(R)-(-)-6-(4-氨苯基)-4,5-二氢-5-甲基-3(2H)-哒嗪酮(-)-酒石酸盐-二氯甲烷-甲醇(1/1/1)(10)、4,5-二氢-6-甲基-3(2H)-哒嗪酮(11)，这些结构已作为一项研究的一部分被测定，该研究旨在确定它们的心血管性质与分子结构和尺寸之间的关系。对于两种旋光拆分的手性衍生物(9)和(10)，已确定了其绝对构型。