Aluminum barium titanium oxide | 52869-91-7

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 后过渡金属有机物
• 英文名称: Aluminum barium titanium oxide
• 英文别名: aluminum;barium(2+);oxygen(2-);titanium(4+)
• CAS: 52869-91-7
• 化学式: AlBaOTi+7
• 分子量: 228.17
• InChiKey: LTRINLFGMOIOAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.88
• 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：
  1
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

代谢

硫酸钡化合物通过摄入和吸入被吸收，其程度取决于个别化合物。在人体内，大部分的钡存在于骨骼中，而少量存在于肌肉、脂肪、皮肤和结缔组织中。钡在体内不被代谢，但可能会被运输或结合到复合物或组织中。钡通过尿液和粪便排出。铝通过口服或吸入暴露后吸收不良，基本上不通过皮肤吸收。铝的生物利用率受到铝化合物和能够与铝形成复合物并增强或抑制其吸收的膳食成分的强烈影响。铝在血液中与各种配体结合并分布到每个器官，以骨骼和肺组织中的浓度最高。在生物体中，铝被认为存在四种不同的形式：作为自由离子、作为低分子量复合物、作为物理结合的大分子复合物和作为共价结合的大分子复合物。吸收的铝主要在尿液中排出，较少程度上在胆汁中排出，而未吸收的铝则在粪便中排出。(L739, L214)

Barium compounds are absorbed via ingestion and inhalation, the extent of which depends on the individual compound. In the body, the majority of the barium is found in the bone, while small amounts exists in the muscle, adipose, skin, and connective tissue. Barium is not metabolized in the body, but it may be transported or incorporated into complexes or tissues. Barium is excreted in the urine and faeces. Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (L739, L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

钡是一种竞争性的钾通道拮抗剂，它可以阻止细胞内钾的被动外流，导致钾从细胞外向细胞内部分子转移。细胞内钾的转移导致静息膜电位降低，使得肌肉纤维失去兴奋性，从而引起瘫痪。钡的这些作用可能部分是由于钡诱导的神经肌肉阻滞和膜去极化。铝的主要靶器官是中枢神经系统和骨骼。铝与饮食中的磷结合，并损害胃肠道对磷的吸收。磷酸盐体内负担的减少导致骨软化（由于骨骼矿化缺陷导致的骨骼软化）和佝偻病。铝的神经毒性被认为涉及多种机制。细胞骨架蛋白功能的变化，如磷酸化、蛋白水解、运输和合成的改变，被认为是其中一个原因。铝可能通过影响血脑屏障的通透性、胆碱能活性、信号转导途径、脂质过氧化以及损害神经元谷氨酸一氧化氮-环磷酸鸟苷酸途径，以及由于类似的配位化学和随后的竞争性相互作用而干扰基本微量元素的代谢，从而诱导神经行为效应。有人提出，铝与雌激素受体的相互作用增加了雌激素相关基因的表达，从而促进了乳腺癌的进展（A235），但研究未能建立铝与乳腺癌风险增加之间的明确联系（A15468）。某些铝盐通过激活炎症小体来诱导免疫反应。（L739, A235, A236, L214）

Barium is a competitive potassium channel antagonist that blocks the passive efflux of intracellular potassium, resulting in a shift of potassium from extracellular to intracellular compartments. The intracellular translocation of potassium results in a decreased resting membrane potential, making the muscle fibers electrically unexcitable and causing paralysis. Some of these barium's effects may also be due to barium induced neuromuscular blockade and membrane depolarization. The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (A235), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (A15468). Certain aluminum salts induce immune responses by activating inflammasomes. (L739, A235, A236, L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

未列入国际癌症研究机构(IARC)名录。国际癌症研究机构将铝生产归类为对人类致癌(第1组)，但并未将铝本身视为人类致癌物。(L135)有人提出铝制止汗剂的使用与乳腺癌风险增加之间存在关联(A235)，但研究并未能确立明确的联系(A15468)。

Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (L135) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (A235), but studies have not been able to establish a clear link (A15468).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

不同钡化合物的健康影响取决于化合物在水或胃内容物中的溶解程度。在低剂量时，钡作为一种肌肉刺激剂，而较高剂量则影响神经系统，导致心脏不规律、震颤、虚弱、焦虑、呼吸困难、麻痹甚至可能死亡。钡还可能引起胃肠功能紊乱，损害肾脏并导致体重下降。铝针对神经系统，并导致神经系统性能下降，与血脑屏障功能改变有关。体内铝的积累可能导致骨骼或脑部疾病。高水平的铝与阿尔茨海默病有关。一小部分人对铝过敏，在接触或摄入含有铝的产品时，会经历接触性皮炎、消化紊乱、呕吐或其他症状。（L739, L740, L214）

The health effects of the different barium compounds depend on how well the compound dissolves in water or the stomach contents. At low doses, barium acts as a muscle stimulant, while higher doses affect the nervous system, causing cardiac irregularities, tremors, weakness, anxiety, dyspnea, paralysisand possibly death. Barium may also cause gastrointestinal disturbances, damage the kidneys and cause decreases in body weight. Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer’s disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740, L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L214）；吸入（L214）

Oral (L214) ; inhalation (L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

摄入过量的钡可能会引起呕吐、腹部绞痛、腹泻、呼吸困难、血压升高或降低、面部周围麻木和肌肉无力。高剂量可能会导致心心律变化或麻痹，甚至可能死亡。吸入铝尘会导致咳嗽和胸部X光异常。一小部分人对铝过敏，接触或摄入含铝产品后会出现接触性皮炎、消化系统疾病、呕吐或其他症状。

Ingesting excess barium may cause vomiting, abdominal cramps, diarrhea, difficulties in breathing, increased or decreased blood pressure, numbness around the face, and muscle weakness. High levels may result in changes in heart rhythm or paralysis and possibly death. Inhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740, L214)

来源:Toxin and Toxin Target Database (T3DB)