cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cobalt;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
• 化学式: C16H16CoN2O2
• 分子量: 327.24
• InChiKey: FIONSUNUNBIGCA-MJBGKLQRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.32
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  4

ADMET

代谢

钴通过肺部、胃肠系统和皮肤被吸收。由于它是维生素B12（氰钴胺）的一个组成部分，因此它被分布到身体的大部分组织中。它在血液中运输，通常与白蛋白结合，肝脏和肾脏中的含量最高。钴主要通过尿液和粪便排出。

Cobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (L29)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

鉴定和使用：Salcomine 形成红色晶体，或深棕色粉末。Salcomine 以可逆方式吸收分子氧形成2:1复合物。在第二次世界大战期间，它被评估为在野外或飞行中的飞机上释放氧气的来源。它也被用作氧化还原催化剂。它已被测试为实验性抗病毒剂。人类暴露和毒性：急性暴露于salcomine的迹象和症状可能包括头痛、头晕、虚弱和恶心。可能引起眼睛、皮肤和呼吸道的刺激。还可能注意到食道或胃肠道的刺激或烧伤。动物研究：无相关研究。

IDENTIFICATION AND USE: Salcomine forms red crystals, or dark brown powder. Salcomine is known to absorb molecular oxygen reversibly to form 2:1 complex. During World War II, it was evaluated as a source of oxygen release for use in field or on aircraft in flight. It is also used as a redox catalyst. It has been tested as expermental antiviral agent. HUMAN EXPOSURE AND TOXICITY: Signs and symptoms of acute exposure to salcomine may include headache, dizziness, weakness, and nausea. May cause irritation of the eyes, skin, and respiratory tract. Esophageal or gastrointestinal tract irritation or burns may also be noted. ANIMAL STUDIES: There are no studies available.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 毒性总结

钴被认为通过氧化剂和自由基反应过程表现出其毒性。它能产生氧自由基，并且可能被氧化成离子态的钴，导致脂质过氧化增加、DNA损伤，并诱导某些酶，从而导致细胞凋亡。�alt还被证明能阻断无机钙通道，可能影响神经递质的传递。钴还能与硫辛酸螯合，影响丙酮酸或脂肪酸的氧化。此外，钴可能通过干扰锌指DNA修复蛋白来抑制DNA修复，还显示出能抑制血红素合成和葡萄糖代谢。钴可能激活特定的辅助T淋巴细胞，并直接与免疫蛋白相互作用，如抗体（IgA和IgE）或Fc受体，导致免疫致敏。

Cobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (L29)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

钴和钴化合物在人类中的致癌性证据不足。有充分证据表明钴金属粉末在实验动物中具有致癌性。有限证据显示含有钴、铬和钼的金属合金在实验动物中具有致癌性。总体评估：钴和钴化合物可能对人类具有致癌性（2B组）。/钴和钴化合物/

There is inadequate evidence for the carcinogenicity of cobalt and cobalt compounds in humans. There is sufficient evidence for the carcinogenicity of cobalt metal powder in experimental animals. There is limited evidence for the carcinogenicity of metal alloys containing cobalt, chromium and molybdenum in experimental animals. ... Overall Evaluation: Cobalt and cobalt compounds are possibly carcinogenic to humans (Group 2B). /Cobalt and cobalt compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A3：已确认的动物致癌物，对人类的相关性未知。/钴和钴的无机化合物/

A3: Confirmed animal carcinogen with unknown relevance to humans. /Cobalt and inorganic compounds, as Co/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

钴和释放钴离子的钴化合物根据实验动物研究中充分的致癌性证据以及对致癌机制研究的支持数据，可以合理地预期为人类致癌物。/钴和钴化合物/

Cobalt and cobalt compounds that release cobalt ions in vivo are reasonably anticipated to be human carcinogens based on sufficient evidence of carcinogenicity from studies in experimental animals and supporting data from studies on mechanisms of carcinogenesis. /Cobalt and cobalt compounds/

来源:Hazardous Substances Data Bank (HSDB)