1-Oxa-2lambda5,3lambda5-divanadacycloprop-2-ene 2,3-dioxide

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 英文名称: 1-Oxa-2lambda5,3lambda5-divanadacycloprop-2-ene 2,3-dioxide
• 英文别名: 1-oxa-2λ5,3λ5-divanadacycloprop-2-ene 2,3-dioxide
• 化学式: O3V2
• 分子量: 149.881
• InChiKey: KFAFTZQGYMGWLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.31
• 重原子数：
  5
• 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：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

在生物体组织中，由于存在大量的还原条件，V3+和V4+占据了主导地位；然而，在富含氧气的血浆中，形成了V5+。

Within tissues in organisms, V3+ and V4+ predominate because of largely reducing conditions; in plasma, however, which is high in oxygen, V5+ is formed.

来源:Hazardous Substances Data Bank (HSDB)

代谢

钒主要通过吸入被吸收，尽管少量可以通过皮肤和消化道吸收。它在血浆中迅速分布，主要分布到肾脏、肝脏、肺、心脏、骨骼等部位，并倾向于在这些部位积累。在细胞色素P-450酶的帮助下，钒可以在其两种氧化态之间相互转化，即钒(IV)（V+4）和钒酸根（V+5）。钒的这两种状态都可以与血液中的转铁蛋白可逆地结合，然后被红细胞摄取。钒主要通过尿液排出体外。(L837)

Vanadium is absorbed mainly via inhalation, though small amounts can be absorbed through the skin and gastrointestional tract. It is rapidly distributed in the plasma, mainly to the kidney, liver, lungs, heart, bone, where it tends to accumulate. With the help of cytochrome P-450 enzymes, it can interconvert between its two oxidation states, vanadyl (V+4) and vanadate (V+5). Both states of vanadium can reversibly bind to transferrin protein in the blood and then be taken up into erythrocytes. Vanadium is excreted mainly in the urine. (L837)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

三氧化钒是一种黑色粉末。最重要的应用是作为五氧化二钒的替代品，用于生产铁钒、钒铝合金、高纯度钒金属，以及碳化钒和碳氮化钒。人类暴露和毒性：急性暴露于三氧化钒粉尘与急性上呼吸道和下呼吸道刺激有关。结膜炎、鼻炎和咽喉炎通常在暴露后0.5小时内发生，并在暴露后12小时内持续。更严重的暴露会导致咳嗽、喘息、呼吸困难和解胸痛。有时舌头会出现绿黑色变色。舌头粘膜接触钒粉会导致变色。吸入三氧化钒1-5年后，20名工人中有3人患上了哮喘。它能在培养的人淋巴母细胞TK6细胞中诱导微核。动物研究：将家兔暴露于三氧化钒分散气溶胶（40-75毫克/立方米，每天2小时，持续长达12个月）的家兔表现出逐渐体重下降，平均为4.6%。对照组动物体重平均增加12.3%。神经生理学干扰（条件反射受损和神经肌肉兴奋性增加）在口服或皮下暴露于三氧化钒的狗和家兔中被观察到。它不能在L5178Y小鼠淋巴瘤细胞的hprt位点上诱导突变。在中国仓鼠卵巢细胞中，剂量为0.02-0.25 TC50时，三氧化钒能够显著增加SCE频率，无论是否存在大鼠肝脏S9混合物。它没有表现出对豚鼠的致敏性。

IDENTIFICATION AND USE: Vanadium trioxide is a black powder. The most important application is as an alternative to vanadium pentoxide in the production of iron-vanadium, vanadium-aluminum master alloys, high purity vanadium metal, and vanadium carbides and carbonitrides. HUMAN EXPOSURE AND TOXICITY: Acute exposure to vanadium oxide dusts is associated with acute upper and lower airway irritation. Conjunctivitis, rhinitis, and pharyngitis commonly occur within 0.5 hr of exposure and up to 12 hours after the exposure. Cough, wheezing, dyspnea, and substernal soreness occur with more severe exposures. A green-black discoloration of the tongue sometimes occurs. The discoloration occurs from simple exposure of the tongue mucosa to vanadium powder. Inhalation of vanadium trioxide for 1-5 yr produced asthma in 3 of 20 workers. It induced micronuclei in cultured human lymphoblastoid TK6 cells. ANIMAL STUDIES: Rabbits exposed to a dispersion aerosol of vanadium trioxide (40-75 mg/cu m, 2 hr/day for up to 12 months) exhibited a progressive weight loss amounting to an average of 4.6% at the termination of the study. Control animals gained weight by an average of 12.3%. Neurophysiological disturbances (impaired conditioned reflexes and neuromuscular excitability) /were observed/ in dogs and rabbits exposed orally or subcutaneously to vanadium trioxide. It did not induce mutation at the hprt locus of L5178Y mouse lymphoma cells. In Chinese hamster ovary cells at doses 0.02-0.25 TC50, vanadium trioxide was able to induce significant increases in the SCE frequency with or without the presence of rat hepatic S9 mix. It did not show sensitizing properties in guinea pigs,

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 毒性总结

钒通过降低巨噬细胞膜的完整性来损害肺泡巨噬细胞，从而影响细胞的吞噬能力和生存能力。钒的五价形式，钒酸盐，是细胞膜上Ca2+-ATP酶和Na+,K+-ATP酶的强效抑制剂，这会降低细胞内ATP的浓度。还认为钒能诱导活性氧种类的产生。这可能损害DNA并导致氧化应激，从而损害生殖系统。钒还能抑制蛋白质酪氨酸磷酸酶，产生类似胰岛素的效果。

Vanadium damages alveolar macrophages by decreasing the macrophage membrane integrity, thus impairing the cells' phagocytotic ability and viability. The pentavalent form of vanadium, vanadate, is a potent inhibitor of the Ca+-ATPase and Na+,K+-ATPase of plasma membranes, which decreases intracellular ATP concentration. Vanadium is also believed to induce the production of reactive oxygen species. This may damage DNA and also cause oxidative stress, which can damage the reproductive system. Vanadium also inhibits protein tyrosine phosphatases, producing insulin-like effects. (L837, A247, A248, A249, A250, A251)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

吸入高浓度的钒会影响肺部、喉咙和眼睛。摄入钒可能会导致肾脏和肝脏损伤、出生缺陷或死亡。

Breathing high levels of vanadium affects the lungs, throat, and eyes. Ingestion of vanadium may cause kidney and liver damage, birth defects, or death. (L837)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

该物质可以通过吸入其气溶胶被吸收进入人体。

The substance can be absorbed into the body by inhalation of its aerosol.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

吸收、分配和排泄

二氧化二钒的生物可及性已经在体外通过模拟在生理条件下溶解来实验性地研究，这些条件被认为模仿了最相关的暴露途径（口服、皮肤和吸入）。在100 mg/L V2O3的负载下，溶解的钒浓度在3到16 mg/L之间，相应地，溶解度小于25%。因此，可以合理地将二氧化二钒视为中等生物可及性。

The bioaccessibility of divanadium trioxide has been investigated experimentally in vitro by simulating dissolution under physiological conditions considered to mimic the most relevant exposure routes (oral, dermal and inhalation). Dissolved V concentrations were between 3 to 16 mg/L at the loading of 100 mg/L V2O3, corresponding to a solubility of less than 25%. Therefore, divanadium trioxide may reasonably be considered moderately bioaccessible.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在一项实验研究中，人类暴露于氧化钒粉尘，分别在暴露前、中、后进行测试，发现暴露后三天尿液中的钒含量最高；一周后无法检测到。粪便中的钒含量在最高时为0.003毫克/克；两周后未检测到。/氧化钒粉尘/

In an exptl study in which humans were exposed to vanadium oxide dust, with tests being run before, during, and after exposure, the greatest amount of vanadium was found in urine 3 days after exposure; none was detectable after a week. Fecal vanadium was at a max of 0.003 mg/g; none was detected after 2 wk. /Vanadium oxide dust/

来源:Hazardous Substances Data Bank (HSDB)

表征谱图