barium sulfate

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱土金属氧阴离子化合物
• 英文名称: barium sulfate
• 英文别名: BaSO4；Barium Sulphate；barium(2+);sulfate
• 化学式: Ba*O₄S
• 分子量: 233.394
• InChiKey: TZCXTZWJZNENPQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.72
• 重原子数：
  6
• 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：
  88.6
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

硫酸钡在水中溶解性差，无论是口服还是灌肠给药，胃肠道吸收率都很低。在健康受试者中，口服硫酸钡通常在24小时内排出。灌肠给药的硫酸钡随灌肠液的清除而被排出。

Barium sulfate is poorly water soluble and shows negligible levels of absorption from the gastrointestinal tract following both oral or rectal administration. In healthy subjects, orally administered barium sulfate is generally excreted within 24 hours. Rectally administered barium sulfate is eliminated with clearance of the enema.

来源:DrugBank

代谢

氯化钡、碳酸钡、硫酸钡以及在陶土中熔融的钡在大鼠体内的溶解性进行了研究。氯化钡和碳酸钡在注射部位迅速消失。硫酸钡溶解得更慢；计算出半衰期为26天。熔融的陶土大部分被保留，计算出的半衰期为1390天。

The in vivo solubility in rats of barium chloride, barium carbonate, barium sulfate, and barium fused in clay /was studied/. The chloride and the carbonate disappeared rapidly from the injection site. The sulfate dissolved more slowly; a half-life of 26 days was calculated. The fused clay was largely retained, the half-life being calculated as 1390 days.

来源:Hazardous Substances Data Bank (HSDB)

代谢

硫酸钡化合物通过摄入和吸入被吸收，其程度取决于具体化合物。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。

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. (L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

鉴定：自然界中，钡以化合状态存在，主要形式为重晶石（硫酸钡）和碳酸钡。硫酸钡的水溶性非常低。重晶石矿石是几乎所有其他钡化合物衍生的原材料。钡及其化合物用于多种工业产品，从陶瓷到润滑剂。它用于制造合金，作为纸张、肥皂、橡胶和油毡的填料，在制造阀门时用作灭火剂，以及用于扑灭镭、铀和钚火灾。钡的人为来源主要是工业。排放可能来自开采、精炼或处理钡矿物和制造钡产品。开采和处理重晶石矿石会释放颗粒物到空气中，以及在使用重晶石进行石油钻探和与石油相关的行业时产生的逃逸尘埃。人类暴露：由于许多因素影响吸收，因此很难评估摄入钡的摄取量。食物中的硫酸盐会导致硫酸钡的沉淀。动植物研究：不溶性的钡化合物，如硫酸钡，在肺部积累，并通过纤毛活动缓慢清除。

IDENTIFICATION: In nature barium occurs in a combined state, the principal forms being barite (barium sulfate) and witherite (barium carbonate). Barium sulfate has a very low water solubility. Barite ore is the raw material from which nearly all other barium compounds are derived. Barium and its compounds are used in diverse industrial products ranging from ceramics to lubricants. It is used in the manufacture of alloys, as a loader for paper, soap, rubber and linoleum, in the manufacture of valves and as an extinguisher for radium, uranium and plutonium fires. Anthropogenic sources of barium are primarily industrial. Emissions may result from mining, refining or processing barium minerals and the manufacture of barium products. Mining and processing of barite ore releases particulates into the air and from fugitive dusts from the use of barite in oil drilling and oil related industries. HUMAN EXPOSURE: It is difficult to assess the uptake of ingested barium because of a number of factors affect absorption. The presence of sulfate in food results in the precipitation of barium sulfate. ANIMAL/PLANT STUDIES: Insoluble barium compounds such as barium sulfate, accumulate in the lungs and are cleared slowly ciliary action.

来源:Hazardous Substances Data Bank (HSDB)

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离子的被动外流，导致钾离子从细胞外向细胞内转移。细胞内钾离子的转移导致静息膜电位的降低，使得肌肉纤维在电学上不可兴奋，从而引起瘫痪。钡的这些作用可能部分是由于钡引起的神经肌肉阻滞和膜去极化。

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. (L214)

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

不同钡化合物的健康影响取决于化合物在水中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，而更高的剂量则影响神经系统，导致心脏不规律、震颤、无力、焦虑、呼吸困难、麻痹甚至可能死亡。钡还可能引起胃肠不适，损害肾脏并导致体重下降。

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. (L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 在妊娠和哺乳期间的影响

硫酸钡在哺乳期间的使用总结：由于硫酸钡在口服或灌肠给药后不被吸收，它不会进入乳汁，到达婴儿的血液循环，也不会对哺乳婴儿产生任何不良反应。因此，不需要采取特别的预防措施。 哺乳婴儿的影响：截至修订日期，没有找到相关的已发布信息。 对泌乳和乳汁的影响：截至修订日期，没有找到相关的已发布信息。

◉ Summary of Use during Lactation:Because barium sulfate is not absorbed after oral or rectal administration, it will not enter the milk, reach the bloodstream of the infant or cause any adverse effects in breastfed infants. No special precautions are required. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Relevant published information was not found as of the revision date.

来源:Drugs and Lactation Database (LactMed)

吸收、分配和排泄

• 吸收

硫酸钡在口服或直肠给药后不被吸收，具有正常胃肠道的患者通常在口服后24小时内将硫酸钡排出体外。在正常胃肠道患者中，硫酸钡通常在口服后24小时内排出体外。硫酸钡悬浮剂直肠给药后，药物通常在灌肠释放后排出体外。然而，一些硫酸钡可能会在结肠中停留数周，并最终清除，特别是在肠道蠕动功能受损的患者中。由于多种因素影响其吸收，因此很难量化摄入硫酸钡的摄取量。食物中的硫酸盐可以导致硫酸钡的沉淀。以下是在健康胃肠道中硫酸钡达到最大显影的大致时间：食管、胃和十二指肠几乎在口服给药后立即摄取硫酸钡。小肠的摄取取决于胃排空率和制剂的粘度；可能在摄入后延迟15-90分钟。小肠（肠套叠研究）的摄取是立即的，直接灌注后。结肠和远端小肠的摄取取决于患者的体位。静水压力也决定了显影的速度和程度。

Barium sulfate is not absorbed following oral or rectal administration with a normal gastrointestinal tract. In patients with a normal GI tract, barium sulfate is normally excreted within 24 hr after oral ingestion. Post rectal administration of barium sulfate suspensions, the drug is generally excreted when the enema is released. Some barium may remain in the colon for several weeks, however, and eventually clears, especially in patients with impaired intestinal peristalsis. It is difficult to quantify the uptake of ingested barium because of a number of factors affect its absorption. The presence of sulfate in food can cause the precipitation of barium sulfate. The following is the approximate time to peak opacification of organs by barium sulfate in a healthy GI tract: Esophagus, stomach, and duodenum uptake of barium sulfate occurs almost immediately after oral administration. Small intestine uptake is dependent on gastric emptying rate and viscosity of the preparation; it may be delayed 15-90 minutes post ingestion. Small intestine (enteroclysis studies) uptake is immediate, following direct instillation. Colon and distal small intestine uptake are dependent on patient positioning. Hydrostatic pressure also determines the rate and degree of opacification.

来源:DrugBank

吸收、分配和排泄

• 消除途径

硫酸钡在粪便中以原形排出。

Barium sulfate is excreted unchanged in the feces.

来源:DrugBank

吸收、分配和排泄

• 清除

硫酸钡的排泄速率取决于给药途径以及胃肠道蠕动活动和运动状态。

The rate of excretion of barium sulfate is dependent on the route of administration and the status of peristaltic activity and motility of the gastrointestinal tract.

来源:DrugBank

吸收、分配和排泄

在雌性比格犬中，发现硫酸钡从肺部清除，生物半衰期为8-9天... 这表明在体液中存在一定的溶解度... 可能以胶体形式存在。硫酸钡的清除速率取决于吸入颗粒的特定表面积，经热处理的颗粒的清除速率低于未处理的颗粒。

/In female beagle dog,/ (131)barium sulfate was found to be cleared from lung, with a biological half-time of 8-9 days ... . This indicated some solubility ... In body fluids, possibly in colloidal form. ... Barium sulfate ... Clearance rate /depends/ on specific surface area of inhaled particles and was lower for heat treated than for untreated particles.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在一项广泛的研究中，对291名人类进行了体温和脉搏率的测量，作为对急性炎症反应的指示，这些人在进行支气管造影时被给予了一剂未声明的50% w/v硫酸钡悬浮液。给药方法未明确说明，但推测是将悬浮液滴入气管，然后吹入肺部。在154名患者中，有放射性证据表明在最后一次X光检查时支气管树中存在硫酸钡（给药后不同时间点，从<1周到>1年不等）；另一方面，在135名患者中，1年后在肺部没有残留硫酸钡的放射性证据。其中41名患者在1周内完全清除了肺部的硫酸钡；报告指出，其中一些患者在这24小时内就完成了清除。

In an extensive study, temperature and pulse rate measurements were taken as an indication of an acute inflammatory response for 291 humans administered a single unstated dose of a 50% w/v barium sulfate suspension for bronchographic purposes. The method of administration was unstated, but the suspension was presumed to have been instilled into the trachea and then blown into the lungs. In 154 patients, there was radiological evidence of the presence of barium sulfate in the bronchial tree at the time of the last available X-ray (various time points ranging from < 1 week to > 1 year after administration); in 135 patients, on the other hand, there was no radiological evidence of residual barium sulfate in the lungs 1 year after bronchography. Forty-one of these patients exhibited complete elimination of the barium sulfate from the lungs within 1 week; it was stated that in some of these patients, this clearance occurred within 24 hr.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  barium sulfate 生成 三氧化硫
  参考文献：
  名称：

  Bershov, L. V.; Samoilovich, M. I.; Tarashchan, A. N., Neorganicheskie Materialy, 1969, vol. 5, p. 894 - 897

  摘要：

  DOI：
• 作为产物：
  描述：

  过氧化钡 在 SO₂ 作用下， 生成 barium sulfate
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ba: MVol., 4.3.2, page 98 - 106

  摘要：

  DOI：
• 作为试剂：
  描述：

  14(S)-(3'-oxypropyl phosphoric acid dibenzyloxo)paspalinine 、 三乙胺 在 palladium(II) oxide barium sulfate 、 氢气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 6.0h， 生成 14(S)-(3'-oxypropyl phosphorate bis-triethylammonium)paspalinine
  参考文献：
  名称：

  [EN] MAXI-K CHANNEL BLOCKERS AND METHODS OF USE
  [FR] BLOQUEURS DE CANAUX MAXI-K ET PROCÉDÉS D'UTILISATION

  摘要：

  这项发明涉及在治疗青光眼和其他导致患者眼内压升高的病症中使用强效钾通道阻滞剂或其制剂。该发明还涉及使用这些化合物为哺乳动物，特别是人类的眼睛提供神经保护作用。

  公开号：

  WO2009048559A1

文献信息

• 6-substituted acyclopyrimidine nucleoside derivatives and antiviral
  申请人：Mitsubishi Kasei Corporation

  公开号：US05112835A1

  公开（公告）日：1992-05-12

  6-substitutted acyclopyrimidine nucleoside derivatives represented by the following general formula I: ##STR1## wherein R.sup.1 represents a hydrogen or halogen atom or a group of alkyl, alkenyl, alkynyl, alkylcarbonyl, arylcarbonyl, arylcarbonylalkyl, arylthio or aralkyl; R.sup.2 represents a group of arylthio, alkylthio, cycloalkylthio, aryl sulfoxide, alkyl sulfoxide, cycloalkyl sulfoxide, alkenyl, alkynyl, aralkyl, arylcarbonyl, arylcarbonylalkyl or aryloxy; R.sup.3 represents a hydroxyalkyl group of which alkyl portion may contain an oxygen atom; X represents an oxygen or sulfur atom or amino group; Y represents an oxygen or sulfur atom; and A represents .dbd.N-- or --NH-- or pharmaceutically acceptable salts thereof, processes for their preparation and antiviral agents containing them as active ingredients.

  6-取代的环状嘧啶核苷衍生物，其代表以下通式I：##STR1## 其中R.sup.1代表氢或卤素原子或烷基、烯基、炔基、烷基甲酸基、芳基甲酸基、芳基甲酸烷基、芳基硫或芳烷基；R.sup.2代表芳基硫、烷基硫、环烷基硫、芳基亚砜、烷基亚砜、环烷基亚砜、烯基、炔基、芳烷基、芳基甲酸、芳基甲酸烷基或芳氧基；R.sup.3代表羟基烷基，其中烷基部分可含氧原子；X代表氧或硫原子或氨基；Y代表氧或硫原子；A代表.dbd.N--或--NH--或其药物可接受的盐，其制备过程以及含有它们作为活性成分的抗病毒剂。
• Vitamin d derivatives
  申请人：——

  公开号：US20030195176A1

  公开（公告）日：2003-10-16

  The object of the present invention is to provide a vitamin D derivative exhibiting excellent physiological activity as medicines, in particular as therapeutic agents for skin disease including psoriasis, and having decreased hypercalcemic activity. The present invention provides vitamin D derivatives represented by the general Formula ( 1 ): 1 wherein in Formula ( 1 ), X is oxygen or sulfur; R 1 is hydrogen or Formula ( 2 ) 2 R 2 is hydrogen or alkyl; R 3 and R 4 are hydrogen or alkyl or R 3 and R 4 together form a double bond between the 16 - and 17 -positions; R 5 is hydrogen or -OR 13 in which R 13 is hydrogen or a protecting group; and R 6 is hydrogen or a protecting group.

  本发明的目的是提供一种表现出优异生理活性的维生素D衍生物作为药物，特别是作为治疗包括牛皮癣在内的皮肤疾病的药剂，并且具有降低的高钙血症活性。 本发明提供了由通式（1）表示的维生素D衍生物： 其中在通式（1）中，X为氧或硫； R1为氢或通式（2）； R2为氢或烷基； R3和R4为氢或烷基，或者R3和R4共同形成16-和17-位置之间的双键； R5为氢或-OR13，其中R13为氢或保护基；以及 R6为氢或保护基。
• On the Photolysis of Barium Thiosulfate
  作者：N. B. Egorov、E. A. Popova、O. Kh. Poleshchuk

  DOI：10.1134/s0018143918020078

  日期：2018.3

  BaS2O3. The treatment of the photolysis product of BaS2O3 solutions, which was separated by centrifugation, with n-hexane showed that the electron spectrum of the extract did not contain absorption bands characteristic of dissolved elemental sulfur. Its absence from the solid-phase products of photolysis is a distinctive feature, as opposed to the products of photolysis of the aqueous solutions of lead

  BaS2O3·H2O 的合成是按照已发表的程序 [6] 进行的。将浓度为 7.5 × 10-3 mol/L、体积为 40 mL 的 BaS2O3 溶液在室温下用 DRT-240 高压汞灯的全光照射 40 min。通过离心从溶液中分离得到的沉淀，用水洗涤三次，然后用乙醇洗涤，并在真空干燥器中干燥。多次重复沉淀制备过程以积累足够用于分析的量。在 ICAP 6300 Duo 原子发射光谱仪上测定光解前后的钡离子浓度。衍射图记录在 Rigaku Miniflex 600 衍射仪上。红外光谱在 Nicolet 6700 傅里叶变换红外光谱仪上测量，范围为 400 至 4000 cm-1。将样品制备成含有 KBr 的颗粒。使用 Sentix 81 组合电极在 inoLab pH/Ion 740 WTW 离子计上测量 pH 值。通过光解 BaS2O3 水溶液获得的沉淀物的衍射图由于 BaSO4 相而仅包含线（PDF
• Efficient production of acrylic acid by dehydration of lactic acid over BaSO₄with crystal defects
  作者：Shuting Lyu、Tiefeng Wang

  DOI：10.1039/c6ra28429a

  日期：——

  BaSO4 catalysts with different micromorphologies and crystal texture were prepared and used to investigate the structure–activity relationship in the dehydration reaction of lactic acid (LA) to acrylic acid (AA). SEM and N2 physisorption were used to study the micromorphology. XRD and photoluminescence spectra were employed to analyze the crystal texture of samples prepared with different methods and

  制备了具有不同微观形貌和晶体织构的BaSO 4催化剂，并用于研究乳酸（LA）脱水成丙烯酸（AA）的反应中的构效关系。SEM和N 2物理吸附被用来研究微观形态。用XRD和光致发光光谱分析了用不同方法和处理方法制备的样品的晶体织构。结果表明，具有较小晶体和更多缺陷的BaSO 4具有较高的活性和对AA的选择性。XPS和NH 3证明了晶体缺陷可能提供了将LA脱水为AA的活性酸位点。-TPD测量。以乙醇为溶剂，在制备BaSO 4的过程中进行超声处理，形成缺陷多的不完善小晶体，使AA的选择性提高到78.8％。
• Barium sulphate catalyzed dehydration of lactic acid to acrylic acid
  作者：Jiansheng Peng、Xinli Li、Congming Tang、Wei Bai

  DOI：10.1039/c3gc42028k

  日期：——

  Dehydration of lactic acid was performed over various metal sulphates. BaSO4 was found to show an efficient activity for dehydration of lactic acid to acrylic acid due to the moderate acidity on its surface. Under the optimal conditions, 99.8% lactic acid conversion and 74.0% acrylic acid selectivity were achieved over the BaSO4 catalyst.

  乳酸的脱水反应在多种硫酸盐上进行。BaSO4被发现对乳酸脱水为丙烯酸表现出高效的催化活性，原因在于其表面的适中酸性。在最佳条件下，BaSO4催化剂实现了99.8%的乳酸转化率和74.0%的丙烯酸选择性。

表征谱图