disodium;selenate

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱金属含氧阴离子化合物
• 英文名称: disodium;selenate
• 化学式: Na2O4Se
• 分子量: 188.95
• InChiKey: MHQOTKLEMKRJIR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -8.99
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

大部分膳食硒以硒代甲硫氨酸（硒的主要膳食形式）或硒代半胱氨酸的形式存在，这两种形式都能很好地被吸收。其他形式的硒包括硒酸盐和亚硒酸盐，它们不是膳食的主要成分，但常用于强化食品和膳食补充剂中。人体内存在两种储备硒池。第一种是硒代甲硫氨酸，它除了具有甲硫氨酸的生理功能外，没有已知的独立生理功能。第二个储备池是存在于肝脏谷胱甘肽过氧化物酶中的硒。摄入的亚硒酸盐、硒酸盐和硒代半胱氨酸都直接代谢为硒化物，即硒的还原形式。硒代甲硫氨酸也可以代谢为硒化物。/硒酸盐/

Most dietary selenium is in the form of selenomethionine (the major dietary form of selenium) or selenocysteine, both of which are well absorbed. Other forms of selenium include selenate and selenite, which are not major dietary constituents, but are commonly used in fortified foods and dietary supplements. Two pools of reserve selenium are present in the body. The first is as selenomethionine, which is not known to have a physiological function separate from that of methionine. The second reserve pool is the selenium found in liver glutathione peroxidase. Ingested selenite, selenate, and selenocysteine are all metabolized directly to selenide, the reduced form of selenium. Selenomethionine can also be metabolized to selenide. /Selenate/

来源:Hazardous Substances Data Bank (HSDB)

代谢

使用富集稳定同位素作为示踪剂的HPLC-ICP MS方法对静脉注射到大鼠体内的亚硒酸盐和亚硒酸进行了分类。在剂量关系实验中，将含有82(Se)富集的亚硒酸盐或亚硒酸静脉注射到8周龄的雄性Wistar大鼠中（每组三只大鼠），亚硒酸盐组的单一剂量为10、25、50、100和200微克/千克体重，亚硒酸组的剂量为2、5、10、25和50微克/千克体重。1小时或24小时后处死动物，测定肝脏、肾脏、血清以及膀胱中残留尿液或24小时尿液中硒-82的浓度和分布。在时间过程实验中，分别以50和10微克/千克的剂量注射含有82(Se)富集的亚硒酸盐和亚硒酸，并在5、15、30、60和180分钟后处死动物。结果表明，亚硒酸盐被肝脏直接吸收的效率大约是亚硒酸的一半，后者在红细胞中代谢为硒化物后被肝脏吸收。尽管亚硒酸盐和亚硒酸在血液中的代谢方式不同，且只有一部分亚硒酸盐直接排入尿液中，但肝脏吸收的硒-82的代谢方式在亚硒酸盐和亚硒酸之间是不可区分的。亚硒酸来源的硒-82但不是亚硒酸盐来源的硒-82在血液中发生氧化还原反应。这些结果表明，尽管静脉注射的亚硒酸盐被身体利用的效率较低，但它在大鼠体内的利用方式与亚硒酸相似，且更为安全。

Selenate and selenite injected intravenously into rats were speciated by the HPLC-ICP MS method with use of an enriched stable isotope as the tracer. In dose-relation experiments, 82(Se)-enriched selenate or selenite was injected intravenously into male Wistar rats of 8 weeks of age (three rats/group) at single doses of 10, 25, 50, 100 and 200 ug/kg body weight for the selenate group, and 2, 5, 10, 25 and 50 ug/kg body weight for the selenite group. The animals were sacrificed 1 or 24 hr later, and the concentrations and distributions of selenium-82 in the liver, kidneys, serum, and urine remaining in the bladder or 24-hr urine were determined. In time-course experiments, (82)Se-enriched selenate and selenite were injected at doses of 50 and 10 ug/kg body weight, respectively, and the animals were sacrificed 5, 15, 30, 60 and 180 min later. It was suggested that selenate is directly taken up by the liver with an efficiency of approximately 1/2 compared with selenite, the latter being taken up by the liver after being metabolized to selenide in red blood cells. Although selenate and selenite were metabolized differently in the bloodstream, and also a part of only selenate was excreted directly into the urine, the selinium-82 taken up by the liver was shown to be metabolized in a manner indistinguishable between selenate and selenite. Selenium-82 of selenite origin but not of selenate origin was suggested to undergo redox reaction in the bloodstream. These results suggest that although parenteral selenate is utilized less efficiently by the body, it is utilized in the liver in a similar manner to selenite much more safely. /Selenate/

来源:Hazardous Substances Data Bank (HSDB)

代谢

用于研究体内硒的代谢途径的亚硒酸盐和硒酸盐，使用富集了（82）Se的...。确定了在器官和体液中（82）Se的浓度以及其成分的分布，这取决于给大鼠静脉注射（82）Se-亚硒酸盐和硒酸盐后的剂量和时间。亚硒酸盐在几分钟内被红细胞摄取，被谷胱甘肽还原为硒化物，然后运输到血浆中，选择性地与白蛋白结合并转移到肝脏。与亚硒酸盐相反，完整的硒酸盐要么直接被肝脏摄取，要么排入尿液中。在肝脏中检测到了来自亚硒酸盐的（82）Se和来自硒酸盐的（82）Se，它们以两种硒峰材料A和B的形式存在。前者在体内和体外被甲基化为后者。后者与主要的尿液代谢物相同，被鉴定为Se-甲基-N-乙酰-硒己糖胺（硒糖）。通过硒化物作为无机和有机硒源的假定共同中间体以及作为硒蛋白合成利用和硒排泄甲基化之间的检查点代谢物，解释了硒的特定化学物种代谢途径。/硒酸盐/

Metabolic pathways for Se in the body were studied for selenite and selenate, with the use of enriched (82)Se ... . The concentrations of (82)Se in organs and body fluids and the distributions of their constituents depending on the dose and time after the intravenous administration of (82)Se-selenite and -selenate to rats were determined. Selenite was taken up by red blood cells within several minutes, reduced to selenide by glutathione, and then transported to the plasma, bound selectively to albumin and transferred to the liver. Contrary to selenite, intact selenate was either taken up directly by the liver or excreted into the urine. The (82)Se of selenite origin and that of selenate origin were detected in the forms of the two Se peak materials in the liver, A and B. The former one was methylated to the latter in vivo and in vitro. The latter one was identical with the major urinary metabolite and it was identified as Se-methyl-N-acetyl-selenohexosamine (selenosugar). The chemical species-specific metabolic pathway for Se was explained by the metabolic regulation through selenide as the assumed common intermediate for the inorganic and organic Se sources and as the checkpoint metabolite between utilization for the selenoprotein synthesis and methylation for the excretion of Se. /Selenate/

来源:Hazardous Substances Data Bank (HSDB)

代谢

硒可能通过吸入和摄入被吸收，而一些硒化合物也可能通过皮肤吸收。一旦进入人体，硒主要分布到肝脏和肾脏。硒是一种必需的微量元素，是谷胱甘肽过氧化物酶、碘甲状腺原氨酸5'-脱碘酶和硫氧还蛋白还原酶的组成部分。有机硒首先代谢为无机硒。无机硒逐步还原为中间体氢硒化物，然后转化为硒磷酸和硒半胱氨酸tRNA并进入硒蛋白，或者转化为硒化物的甲基化代谢物后排入尿液中。元素硒在排泄前也会被甲基化。硒主要通过尿液和粪便排出，但某些硒化合物也可能通过呼吸排出。(L619)

Selenium may be absorbed through inhalation and ingestion, while some selenium compounds may also be absorbed dermally. Once in the body, selenium is distributed mainly to the liver and kidney. Selenium is an essential micronutrient and is a component of glutathione peroxidase, iodothyronine 5'-deiodinases, and thioredoxin reductase. Organic selenium is first metabolized into inorganic selenium. Inorganic selenium is reduced stepwise to the intermediate hydrogen selenide, which is either incorporated into selenoproteins after being transformed to selenophosphate and selenocysteinyl tRNA or excreted into the urine after being transformed into methylated metabolites of selenide. Elemental selenium is also methylated before excretion. Selenium is primarily eliminated in the urine and feces, but certain selenium compounds may also be exhaled. (L619)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

硒可以轻易地替代生物分子中的硫，并在许多生化反应中替代硫，特别是在硒的浓度高而硫的浓度低时。通过影响线粒体和微囊电子传递，使细胞呼吸中氧化反应所需的巯基酶失活，这可能是急性硒中毒的一个原因。硒代甲硫氨酸（一种常见的有机硒化合物）似乎也可以随机地替代蛋白质合成中的甲硫氨酸。这种替代可能会影响蛋白质的结构和功能性，例如，通过改变二硫键。无机形态的硒似乎通过氧化还原催化与组织巯基反应，导致形成活性氧种，并通过氧化应激造成损害。（L619）

Selenium readily substitutes for sulfur in biomolecules and in many biochemical reactions, especially when the concentration of selenium is high and the concentration of sulfur is low. Inactivation of the sulfhydryl enzymes necessary for oxidative reactions in cellular respiration, through effects on mitochondrial and microsomal electron transport, might contribute to acute selenium toxicity. Selenomethionine (a common organic selenium compound) also appears to randomly substitute for methionine in protein synthesis. This substitution may affect the structure and functionability of the protein, for example, by altering disulfide bridges. Inorganic forms of selenium appear to react with tissue thiols by redox catalysis, resulting in formation of reactive oxygen species and causing damage by oxidative stress. (L619)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

3, 无法归类其对人类致癌性的类别。(L135)

3, not classifiable as to its carcinogenicity to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

长期口腔接触高浓度的硒化合物可能会引发一种名为硒中毒的疾病。硒中毒的主要症状包括脱发、指甲变脆和神经系统异常（例如四肢麻木和其他奇怪的感觉）。动物研究显示，硒还可能影响精子生产和女性生殖周期。

Chronic oral exposure to high concentrations of selenium compounds can produce a disease called selenosis. The major signs of selenosis are hair loss, nail brittleness, and neurological abnormalities (such as numbness and other odd sensations in the extremities). Animal studies have shown that selenium may also affect sperm production and the female reproductive cycle. (L619)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L619）；吸入（L619）；皮肤给药（L619）

Oral (L619) ; inhalation (L619) ; dermal (L619)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

短期内口服高浓度的硒可能会导致恶心、呕吐和腹泻。短暂接触空气中的高浓度元素硒或二氧化硒可能会导致呼吸道刺激、支气管炎、呼吸困难以及胃痛。长期暴露于这些气态形式之一可能会导致呼吸道刺激、支气管痉挛和咳嗽。

Short-term oral exposure to high concentrations of selenium may cause nausea, vomiting, and diarrhea. Brief exposures to high levels of elemental selenium or selenium dioxide in air can result in respiratory tract irritation, bronchitis, difficulty breathing, and stomach pains. Longer-term exposure to either of these air-borne forms can cause respiratory irritation, bronchial spasms, and coughing. (L619)

来源:Toxin and Toxin Target Database (T3DB)

吸收、分配和排泄

硫酸钠...在实验动物中，包括大鼠、小鼠、狗和猴子，吸收良好（摄入量的80-100%）。吸收主要发生在十二指肠。

Sodium selenate ... /is/ well absorbed (80-100% of intake) in laboratory animals, including rats, mice, dogs, and monkeys. Absorption takes place mainly in the duodenum.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

静脉注射亚硒酸钠或硒酸酯给AS2雄性大鼠...显示出在肝脏、肾脏和肾上腺中有显著的积累，长期给药则在睾丸中显示出积累。

Parenteral injection of sodium selenite or selenate in male AS2 rats ... demonstrated pronounced accumulation in liver, kidney, and adrenal where chronic administration showed accumulation in testes.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  disodium;selenate 、 iron(2+);dihydroxide 生成 棕土
  参考文献：
  名称：

  MURPHY, ANDREW P., IND. AND ENG. CHEM. RES., 27,(1988) N 1, 187-191

  摘要：

  DOI：
• 作为产物：
  描述：

  6-(4-氨基苯基)-4,5-二氢-3(2H)-哒嗪酮 生成 disodium;selenate
  参考文献：
  名称：

  J. Phys. Chem. 1991, 95, 2927-2931

  摘要：

  DOI：

文献信息

• MURPHY, ANDREW P., IND. AND ENG. CHEM. RES., 27,(1988) N 1, 187-191
  作者：MURPHY, ANDREW P.

  DOI：——

  日期：——
• J. Phys. Chem. 1991, 95, 2927-2931
  作者：

  DOI：——

  日期：——