oxovanadium;trihydrochloride

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 英文名称: oxovanadium;trihydrochloride
• 化学式: Cl3H3OV
• 分子量: 176.32
• InChiKey: JNKMSLLEOBTKQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.14
• 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：
  17.1
• 氢给体数：
  3
• 氢受体数：
  1

ADMET

代谢

在生物体的组织中，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

识别和使用：钒酸三氯是柠檬黄色的液体。它用作烯烃聚合（乙烯-丙烯橡胶）和有机钒合成的催化剂。人类暴露和毒性：在5X10-5 M浓度下，对人类外周白细胞未发现钒酸氯的基因毒性影响。动物研究：研究了钒酸三氯对雄性大鼠药物作用的影响。在将钒酸三氯（2.5X10-6至2.5X10-3 M）添加到大鼠肝脏上清液组分后，仅在浓度大于2.5X10-4 M时，才显著抑制药物代谢。在体内给药钒（2毫克钒/千克，ip，连续2天）后，48小时后测量的戊巴比妥催眠持续时间的延长并不显著。

IDENTIFICATION AND USE: Vanadium oxytrichloride is lemon-yellow liquid. It is used as catalyst in olefin polymerization, (ethylene-propylene rubber) and organovanadium synthesis. HUMAN EXPOSURE AND TOXICITY: Genotoxic effects were not found for vanadyl chloride at a concentration of 5X10-5 M on human peripheral white blood cells. ANIMAL STUDIES: The influence of vanadium oxytrichloride on drug action in male rats was investigated. Following the addition of vanadyl trichloride (2.5X10-6 to 2.5X10-3 M) to rat liver supernatant fractions, significant inhibition of drug metabolism was evident only at concn greater than 2.5X10-4 M. Following in vivo vanadium admin (2 mg vanadium/kg, ip, for 2 days), duration of pentobarbital hypnosis measured 48 hr later was not significantly prolonged.

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

口服（L837）；吸入（L837）；皮肤给药（L837）

Oral (L837) ; inhalation (L837) ; dermal (L837)

来源:Toxin and Toxin Target Database (T3DB)

吸收、分配和排泄

在大鼠中进行了研究，以确定钒在器官和亚细胞颗粒中的分布，但该研究存在单次给药后观察结果的不足。主要信息涉及五价钒氧三氯化物（48）钒在肝脏亚细胞组分中的分布；尽管在给药后10分钟，上清液中含有57%的同位素，剩余部分在微囊泡、线粒体和核组分中平均分配，但在8天后，（48）钒主要迁移到核组分，线粒体也大约平均占80%，此时同位素在上清液和微囊泡中各占10%。

... /A study was/ performed in rats ... to determine the ... distribution /of vanadium/ in organs and subcellular particles ... /but it has/ the shortcomings resulting from observations made after a single administration ... . The chief ... information ... relates to distribution of (48)vanadium as the pentavalent vanadium oxytrichloride in subcellular fractions of the liver; although supernatant contained 57% of the isotope 10 min after administration with the remainder equally divided among the microsomal, mitochondrial, and nuclear fractions, at 8 days (48)vanadium had migrated mainly into the nuclear fractions and mitochondria about equally to the total extent of 80%, with the isotope now being equally distributed between microsomes and supernatant of 10% each.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

(48)钒三氯化物通过气管内给药给未成年雄性Wistar大鼠。分析了所有主要组织中的(48)钒含量。在接触15分钟内，超过一半的钒从肺部移除，除了大脑以外的所有器官都发生了钒同位素的转移。大多数器官的最高摄取量发生在注射后4到24小时之间，肾脏保持最大的比例。骨骼积累了大量比例，睾丸积累了小部分比例。通过尿液和粪便途径排泄。63天后，还有3%的负担留存。

(48)Vanadium oxytrichloride was administered intratracheally to juvenile male Wistar rats. All major tissues were analyzed for (48)vanadium content. Over half was removed from lung within 15 min of exposure, vanadium isotope translocated to all organs except brain. The peak uptake for most organs occurred between 4 and 24 hr after injection with kidney maintaining largest fraction. Bones accumulated large fractions, testes small fraction. Excretion occurred by urine and fecal routes. Three percent of the burden remained after 63 days.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

给予雄性Wistar大鼠氯化钒(48VOCl3) ip，剂量为V，范围从0.1到8 mg/kg，并在注射后1天和5天收集其组织。V在组织中的分布顺序为：骨骼>肾脏>肝脏>脾脏>肠>胃>肌肉>睾丸>肺>脑。给药后24小时和5天内，组织中V的残留量迅速下降。V的 组织：血液比在骨骼、肾脏、肝脏和脾脏中大于1，在其他所有器官中接近1，除了脑。在所有情况下，脑中V的水平都远低于血液。当剂量低于2 mg/kg时，大多数器官中V的残留量与剂量呈线性关系。然而，在8 mg/kg时，肝脏和肾脏的量比从低剂量的线性关系中预期的要高。肝脏和肾脏中V的亚细胞分布表明，它与核、线粒体、微粒体以及主要是肝脏可溶部分的高分子量蛋白质有关。结果表明，V的分布模式取决于暴露水平。

Male Wistar rats were given vanadyl trichloride (48VOCl3) ip in doses of V ranging from 0.1 to 8 mg/kg and their tissues were collected 1 and 5 d after the injection. V was distributed in the order bone greater then kidney greater then liver greater than spleen greater than intestines greater than stomach greater than muscle greater than testis greater than lung greater than brain. Residues of V in tissues declined rapidly between 24 hr and 5 d after administration. The tissue:blood ratios of V were greater than unity for bone, kidney, liver, and spleen and near unity for all other organs except the brain. Brain levels of V were found to be considerably lower than blood in all cases. V residues were linearly related to dose in most organs when the dose was below 2 mg/kg. At 8 mg/kg, however, liver and kidney showed consistently higher amounts than would be expected from the linear relationship at the low doses. Subcellular distribution of V in liver and kidney indicated that it was associated with nuclei, mitochondria, microsomes, and primarily with high-molecular-weight proteins in the soluble fraction of liver. The results suggest that the distribution pattern of V is dependent on exposure level.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

钒在体内组织中的分布研究使用了静脉注射的V(3+)，气管内注射的氯化钒或三氯氧化钒，以及口服硫酸钒或正钒酸盐。器官和组织中钒的相对水平根据给药途径而有所不同；然而，通过相同途径给药的不同化合物的分布差异很小，这表明钒可能在体内转化为一种常见的氧化态。... 注射了V(5+)的大鼠后来在其组织中发现了V(4+)。一般来说，肾脏、肝脏和骨骼积累了最高水平的钒。保留钒时间最长的组织是骨骼、肾脏、睾丸和肺。报告了人类流体和硬组织中钒含量的初步结果。钒似乎在骨骼和头发中富集。

The distribution of vanadium among the tissues of the body studied using intravenously injected V(3+), intratracheally injected vanadium chloride or vanadium oxytrichloride, and oral doses of vanadyl sulfate or orthovanadate. The relative levels of V in organs and tissues differed according to the route of administration; however, differences in the distribution of different compounds administered by the same route were small, indicating that the vanadium may be converted to a common oxidation state in vivo. ... Rats injected with V(5+) later contained V(4+) in their tissues. In general, kidney, liver, and bone accumulated the highest levels of vanadium. The tissues that retained vanadium the longest were bone, kidney, testicle, and lung. Reported preliminary results for vanadium levels in fluids and hard tissues from humans. Vanadium appears to concentrate in bone and hair.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  oxovanadium;trihydrochloride 、 hydroxytris(4-bromophenyl)silane 以to produce tris[(p-bromophenyl)-siloxy]-vanadium oxide (m.p.= 175° C.)的产率得到tris[(p-bromophenyl)-siloxy]-vanadium oxide
  参考文献：
  名称：

  Vitamin A esters

  摘要：

  一种从3,7-二甲基-9-(1-羟基-2,2,6-三甲基环己基)-诺那-2,4,6-三烯-8-炔-1-醇和3,7-二甲基-9-(1-羟基-2,2,6-三甲基环己基)-诺那-2,4,6-三烯-8-炔酸酯的中间体中生产维生素A酯、维生素A醛和维生素A酸酯的方法。

  公开号：

  US04022807A1
• 作为试剂：
  描述：

  (+/-)-6-Hydroxy-7-methoxy-4-(3-hydroxy-4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline 、 三氟乙酸 在 oxovanadium;trihydrochloride ice 、 二氯甲烷 、 水 、 acetone diethyl ether 作用下， 以 二氯甲烷 为溶剂， 反应 3.02h， 以gives (±)-5,6,6a,7-Tetrahydro-1,9-dihydroxy-2,10-dimethoxy-5-methyl-4H-dibenz(de,g)isoquinoline in the form of its trifluoroacetate的产率得到(+/-)-5,6,6a,7-Tetrahydro-1,9-dihydroxy-2,10-dimethoxy-5-methyl-4H-dibenz(de,g)isoquinoline
  参考文献：
  名称：

  5,6,6a,7-Tetrahydro-4H-dibenz(de,g)-isoquinoline derivatives, and their

  摘要：

  本发明提供了通式如下的化合物：##STR1##其中R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.5可以相同也可以不同，分别为羟基、1至5个碳原子的直链或支链烷氧基、苯氧基、苄氧基，相邻的两个基团可以是亚甲二氧基，或者是氢，但是R.sub.4和R.sub.5不能同时为氢；R.sub.6为氢、1至5个碳原子的直链或支链烷基、2至5个碳原子的直链或支链烯基、4至7个碳原子的环烷基烷基、2至6个碳原子的烷氧羰基、三氟乙酰基、5至11个碳原子的芳基烷基或由1至11个碳原子的脂肪族、芳基脂肪族或芳香族羧酸衍生的酰基；以及其药学上可接受的盐；但不包括5,6,6a,7-四氢-1-羟基-2,9,10-三甲氧基-5-甲基-4H-二苯并[de,g]-异喹啉和5,6,6a,7-四氢-1,2,9,10-四甲氧基-5-甲基-4H-二苯并[de,g]-异喹啉。本发明还提供了制备这些化合物的方法和含有它们的药物组合物。此外，本发明还涉及使用这些化合物治疗中枢神经系统疾病。

  公开号：

  US04425350A1

文献信息

• Phenylsiloxy vanadium oxide catalysts
  申请人：Hoffmann-La Roche Inc.

  公开号：US03981896A1

  公开（公告）日：1976-09-21

  Novel phenylsiloxy vanadium oxide catalyst where the phenyl moiety is substituted with an electron withdrawing group, said catalyst being used to convert secondary and tertiary acetylenic carbinols to the corresponding .alpha.,.beta.-unsubstituted carbonyl compounds.

  新型苯基硅氧化钒催化剂，其中苯基取代了一个电子吸引基团，该催化剂用于将二级和三级炔基醇转化为相应的α，β-未取代的羰基化合物。
• Catalytic rearrangement
  申请人：Hoffmann-La Roche Inc.

  公开号：US03994936A1

  公开（公告）日：1976-11-30

  Process for converting secondary and tertiary acetylenic carbinols to the corresponding alpha,beta-unsaturated carbonyl compounds by rearranging the carbinol with (trilower alkyl-, tricycloalkyl-, triaryl- or triarylalkyl-siloxy)-vanadium oxide catalyst in the presence of a silanol where either the vanadium oxide or the silanol contains a phenyl group substituted with at least one electron withdrawing group.

  使用(trilower烷基、三环烷基、三芳基或三芳基烷基硅氧化物)-钒催化剂在硅醇的存在下，通过重新排列碳醇来将二级和三级乙炔碳醇转化为相应的α，β-不饱和羰基化合物，其中钒氧化物或硅醇含有至少一个电子吸引基取代的苯基。
• Vitamin A esters
  申请人：Hoffmann-La Roche Inc.

  公开号：US04022807A1

  公开（公告）日：1977-05-10

  A process for producing vitamin A esters, vitamin A aldehyde and 3,7-dimethyl-9-(1-hydroxy-2,2,6-trimethylcyclohexyl)-nona-2,4,6-trien-8-yn -1-ol and vitamin A acid esters from esters of 3,7-dimethyl-9-(1-hydroxy-2,2,6-trimethylcyclohexyl)-nona-2,4,6-trien-8-yn oic acid including intermediates in this process.

  一种从3,7-二甲基-9-(1-羟基-2,2,6-三甲基环己基)-诺那-2,4,6-三烯-8-炔-1-醇和3,7-二甲基-9-(1-羟基-2,2,6-三甲基环己基)-诺那-2,4,6-三烯-8-炔酸酯的中间体中生产维生素A酯、维生素A醛和维生素A酸酯的方法。
• Process for producing vitamin A
  申请人：Hoffmann-La Roche Inc.

  公开号：US04148829A1

  公开（公告）日：1979-04-10

  A process for producing vitamin A esters, vitamin A aldehyde and vitamin A acid esters from esters of 3,7-dimethyl-9-(1-hydroxy-2,2,6-trimethylcyclohexyl)-nona-2,4,6-trien-8-yn -1-ol and 3,7-dimethyl-9-(1-hydroxy-2,2,6-trimethylcyclohexyL)-nona-2,4,6-trien-8-yn oic acid including intermediates in this process.

  一种从3,7-二甲基-9-(1-羟基-2,2,6-三甲基环己基)-壬-2,4,6-三烯-8-炔-1-醇酯和3,7-二甲基-9-(1-羟基-2,2,6-三甲基环己基)-壬-2,4,6-三烯-8-炔酸酯制备维生素A酯、维生素A醛和维生素A酸酯的方法，包括该过程中的中间体。