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采用气相色谱-质谱联用技术鉴定大鼠尿液中2-乙基己酸的主要代谢产物。

Identification of the main metabolites of 2-ethylhexanoic acid in rat urine using gas chromatography-mass spectrometry.

作者信息

Pennanen S, Auriola S, Manninen A, Komulainen H

机构信息

National Public Health Institute, Department of Environmental Hygiene and Toxicology, Kuopio, Finland.

出版信息

J Chromatogr. 1991 Jul 17;568(1):125-34. doi: 10.1016/0378-4347(91)80346-e.

DOI:10.1016/0378-4347(91)80346-e
PMID:1770091
Abstract

The metabolites of 2-ethylhexanoic acid, an industrial chemical and the active ingredient in wood preservatives, were investigated in rat urine. Male Wistar rats were given 2-ethylhexanoic acid (2-EHA) in drinking water (600 mg/kg daily) for nine weeks, and then urine specimens were collected and analysed. The compounds were identified by gas chromatography-mass spectrometry in both electron-impact mode and chemical ionization mode. In addition to 2-EHA, ten different 2-EHA-related metabolites were found in the urine of 2-EHA-treated rats. The main metabolite was 2-ethyl-1,6-hexanedioic acid. Urine also contained 2-ethyl-6-hydroxyhexanoic acid and five other hydroxylated metabolites and two lactones, the detailed structures of which have not yet been elucidated. The unsaturated 5,6-dehydro-EHA was also identified; this is the metabolite corresponding to 2-n-propyl-4-pentenoic acid, the hepatotoxic metabolite of valproic acid. At least part of the 2-EHA is present in urine as a glucuronide conjugate.

摘要

2-乙基己酸是一种工业化学品,也是木材防腐剂中的活性成分,对其在大鼠尿液中的代谢产物进行了研究。雄性Wistar大鼠饮用含2-乙基己酸(2-EHA,每日600 mg/kg)的水,持续9周,然后收集并分析尿液样本。通过气相色谱-质谱联用仪在电子轰击模式和化学电离模式下对化合物进行鉴定。除2-EHA外,在接受2-EHA处理的大鼠尿液中还发现了10种不同的与2-EHA相关的代谢产物。主要代谢产物是2-乙基-1,6-己二酸。尿液中还含有2-乙基-6-羟基己酸和其他5种羟基化代谢产物以及两种内酯,其详细结构尚未阐明。还鉴定出了不饱和的5,6-脱氢-EHA;它是与丙戊酸的肝毒性代谢产物2-正丙基-4-戊烯酸相对应的代谢产物。至少部分2-EHA以葡萄糖醛酸缀合物的形式存在于尿液中。

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