Diantimony diselenide | 12294-12-1

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 类金属有机物
• 英文名称: Diantimony diselenide
• CAS: 12294-12-1
• 化学式: H2Sb2Se2
• 分子量: 403.48
• InChiKey: KRHXOEFCSNLQPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.06
• 重原子数：
  4
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

代谢

锑在体内广泛分布。头发和皮肤含有化合物的最高水平。肾上腺、肺、大肠、气管、小脑和肾脏也含有相对较高的锑。血液是将吸收的锑运输到体内各个组织隔室的主要载体。锑的确切代谢途径尚不清楚。锑通过尿液和粪便排出。一些粪便中的锑可能代表未被吸收的锑，通过粘液纤毛活动从肺部清除到食管，再到胃肠道。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。一旦进入体内，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氢硒化物，然后转化为硒磷酸和硒半胱氨酸tRNA后，被整合到硒蛋白中，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气排出。(L619, L741)。

Antimony is widely distributed throughout the body. The hair and skin contain the highest levels of the compound. The adrenal glands, lung, large intestine, trachea, cerebellum, and kidneys also contain relatively high levels of it. Blood is the main vehicle for the transport of absorbed antimony to various tissue compartments of the body. The exact metabolic pathway of antimony remains unclear. Antimony is excreted via the urine and feces. Some of the fecal antimony may represent unabsorbed antimony that is cleared from the lung via mucociliary action into the esophagus to the gastrointestinal tract. 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, L741).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

吸入数据表明，心肌是锑中毒的目标。锑可能通过干扰糖原分解和糖异生途径的酶来影响循环葡萄糖。锑的作用机制尚不清楚。然而，一些研究表明，锑与包括对组织呼吸重要的几种酶在内的巯基团结合。BAL的解毒作用取决于其防止或打断锑与关键酶结合的能力。此外，死亡原因被认为是与急性砷中毒基本相同。硒容易在生物分子和许多生化反应中替代硫，尤其是在硒浓度高而硫浓度低的情况下。通过影响线粒体和微粒体电子传输，使细胞呼吸中氧化反应所需的巯基酶失活，可能导致急性硒中毒。硒代甲硫氨酸（一种常见的有机硒化合物）似乎也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。无机硒形式似乎通过氧化还原催化与组织巯基反应，产生活性氧种，并通过氧化应激造成损害。（T18, L619, L741, A238）。

The inhalation data suggests that the myocardium is a target of antimony toxicity. It is possible that antimony affects circulating glucose by interfering with enzymes of the glycogenolysis and gluconeogenesis pathways. The mechanism of action of antimony remains unclear. However, some studies suggest that antimony combines with sulfhydryl groups including those in several enzymes important for tissue respiration. The antidotal action of BAL depends on its ability to prevent or break the union between antimony and vital enzymes. Moreover, the The cause of death is believed to be essentially the same as that in acute arsenic poisoning. 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. (T18, L619, L741, A238).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

3, 其对人类致癌性无法分类。

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

锑中毒可能导致肺尘病。吸入锑可引起肺部功能改变和其他影响，包括慢性支气管炎、慢性肺气肿、活动性肺结核、胸膜粘连和刺激。长期口服高浓度的硒化合物会产生一种称为硒中毒的疾病。硒中毒的主要症状包括脱发、指甲变脆和神经异常（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。

Antimony poisoning can lead to pneumoconiosis. Alterations in pulmonary function and other effetcs including chronic bronchitis, chronic emphysema, inactive tuberculosis, pleural adhesions, and irritation can result from inhalation of antimony. 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, L741)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

吸入（L741）；口服（L741）；皮肤给药（L741）

Inhalation (L741) ; oral (L741) ; dermal (L741)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

腹部疼痛、呕吐、腹泻和食欲不振可能是由锑摄入引起的。呼吸困难、头痛、呕吐、咳嗽、结膜炎和鼻血脓性分泌物可能是由吸入暴露引起的。皮肤或眼睛接触可能导致暴露表面疼痛和发红。严重的角膜烧伤可能是由眼睛暴露引起的。短期内口服高浓度的硒可能导致恶心、呕吐和腹泻。短暂接触空气中的元素硒或二氧化硒的高水平可能导致呼吸道刺激、支气管炎、呼吸困难和小腹痛。长期接触这两种气态形式可能导致呼吸道刺激、支气管痉挛和咳嗽。（L619, T64, L49）

Abdominal pain, vomiting, diarrhea, and loss of appetite can result from ingestion of antimony. Dyspnea, headache, vomiting,cough, conjunctivitis, and bloody purulent discharge from nose can result from inhalation exposure. Skin or eye contact can cause pain and redness of the exposed surface. Severe burns of the cornea can result from eye exposure. 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, T64, L49)

来源:Toxin and Toxin Target Database (T3DB)