barium(2+);dipermanganate

• 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(2+);dipermanganate
• 化学式: BaMn2O8
• 分子量: 375.2
• InChiKey: YFFSWKZRTPVKSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.48
• 重原子数：
  11
• 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：
  149
• 氢给体数：
  0
• 氢受体数：
  8

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。锰主要通过摄入吸收，但也可以通过吸入。它与血浆中的α-2-巨球蛋白、白蛋白或转铁蛋白结合，并分布到大脑和所有其他哺乳动物组织，尽管它倾向于在肝脏、胰腺和肾脏中积累更多。锰能够存在于多种氧化状态，并被认为是体内氧化状态会发生变化的。锰的氧化状态可以影响组织的毒代动力学行为，甚至可能影响毒性。锰主要通过粪便排出。(L214, L228)

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. Manganese is absorbed mainly via ingestion, but can also be inhaled. It binds to alpha-2-macroglobulin, albumin, or transferrin in the plasma and is distributed to the brain and all other mammalian tissues, though it tends to accumulate more in the liver, pancreas, and kidney. Manganese is capable of existing in a number of oxidation states and is believed to undergo changes in oxidation state within the body. Manganese oxidation state can influence tissue toxicokinetic behavior, and possibly toxicity. Manganese is excreted primarily in the faeces. (L214, L228)

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诱导的神经肌肉阻滞和膜去极化。锰是一种细胞毒素，能够损害运输系统、酶活性和受体功能。它主要针对中枢神经系统，尤其是基底神经节中的苍白球。人们认为，锰离子Mn(II)增强了各种细胞内儿茶酚胺的自动氧化或周转，导致自由基、活性氧种和其他细胞毒性代谢产物的产生增加，同时细胞抗氧化防御机制耗尽，导致氧化损伤和选择性破坏多巴胺能神经元。除了多巴胺，锰还被认为会干扰其他神经递质，如GABA和谷氨酸。为了产生氧化损伤，锰必须首先克服抗氧化酶锰超氧化物歧化酶。Mn(II)的神经毒性还与其在生理条件下替代Ca(II)的能力有关。它可以通过钙单向转运体进入线粒体，并抑制线粒体氧化磷酸化。它还可能抑制Ca(II)的外流，这可能导致线粒体膜完整性的丧失。Mn(II)已被证明能显著抑制线粒体顺乌头酸酶活性，改变氨基酸代谢和细胞铁稳态。

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. Manganese is a cellular toxicant that can impair transport systems, enzyme activities, and receptor functions. It primarily targets the central nervous system, particularily the globus pallidus of the basal ganglia. It is believed that the manganese ion, Mn(II), enhances the autoxidation or turnover of various intracellular catecholamines, leading to increased production of free radicals, reactive oxygen species, and other cytotoxic metabolites, along with a depletion of cellular antioxidant defense mechanisms, leading to oxidative damage and selective destruction of dopaminergic neurons. In addition to dopamine, manganese is thought to perturbations other neurotransmitters, such as GABA and glutamate. In order to produce oxidative damage, manganese must first overwhelm the antioxidant enzyme manganese superoxide dismutase. The neurotoxicity of Mn(II) has also been linked to its ability to substitute for Ca(II) under physiological conditions. It can enter mitochondria via the calcium uniporter and inhibit mitochondrial oxidative phosphorylation. It may also inhibit the efflux of Ca(II), which can result in a loss of mitochondrial membrane integrity. Mn(II) has been shown to inhibit mitochondrial aconitase activity to a significant level, altering amino acid metabolism and cellular iron homeostasis. (L228, (L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

A4；不可分类为人类致癌物。/钡和可溶性化合物，如Ba/

A4; Not classifiable as a human carcinogen. /Barium and soluble compounds, as Ba/

来源:Hazardous Substances Data Bank (HSDB)

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，而较高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。锰主要影响神经系统，可能导致行为改变和其他神经系统效应，包括动作可能变得缓慢和笨拙。这些症状足够严重时，被称为

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. Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as

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)

反应信息

• 作为反应物：
  描述：

  1,2-dihydro-4-hydroxy-1-phenyl-N-(2-thiazolyl)-3-quinolinecarboxamide 、 barium(2+);dipermanganate 在 氯仿 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以yielded 5.70 g (86%) of 1,4-dihydro-4-oxo-1-phenyl-N-(2-thiazolyl)-3-quinolinecarboxamide, m.p. 290° C.的产率得到1,4-dihydro-4-oxo-1-phenyl-N-(2-thiazolyl)-3-quinolinecarboxamide
  参考文献：
  名称：

  1-aryl-3-quinoline-and 1-aryl-3-isoquinoline-carboxamides

  摘要：

  本发明公开了Novel 1-芳基-3-喹啉羧酰胺和1-芳基-3-异喹啉羧酰胺，其制备方法，以及利用这些化合物和组合物治疗疼痛和炎症的方法。

  公开号：

  US04952588A1

文献信息

• 1-aryl-3-quinolinecarboxamide
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04786644A1

  公开（公告）日：1988-11-22

  Novel 1-aryl-3-quinolinecarboxamides and 1-aryl-3-isoquinolinecarboxamides, processes for the preparation thereof, and methods for treating pain and inflammation utilizing compounds and compositions thereof are disclosed.

  本文披露了1-芳基-3-喹啉羧酰胺和1-芳基-3-异喹啉羧酰胺的小说化合物以及其制备过程，以及利用这些化合物和组合物治疗疼痛和炎症的方法。
• Benzazole Derivatives as Histamine H4 Receptor Ligands
  申请人：BIOPROJET

  公开号：US20150004181A1

  公开（公告）日：2015-01-01

  The present patent application concerns new ligands of the H4-receptor, their process of preparation and their therapeutic use.

  本专利申请涉及H4受体的新配体，它们的制备过程和治疗用途。
• Benzazole derivatives as histamine H4 receptor ligands
  申请人：Berrebi-Bertrand Isabelle

  公开号：US08802664B2

  公开（公告）日：2014-08-12

  The present patent application concerns new ligands of the H4-receptor of formula (I), their process of preparation and their therapeutic use.

  本专利申请涉及公式（I）的H4受体的新配体，它们的制备过程及其治疗用途。
• 1-aryl-3-quinoline-and 1-aryl-3-isoquinoline-carboxamides
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04952588A1

  公开（公告）日：1990-08-28

  Novel 1-aryl-3-quinolinecarboxamides and 1-aryl-3-isoquinolinecarboxamides, processes for the preparation thereof, and methods for treating pain and inflammation utilizing compounds and compositions thereof are disclosed.

  本发明公开了Novel 1-芳基-3-喹啉羧酰胺和1-芳基-3-异喹啉羧酰胺，其制备方法，以及利用这些化合物和组合物治疗疼痛和炎症的方法。