丁基锡 | 78763-54-9

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡后金属化合物
• 中文名称: 丁基锡
• 英文名称: Monobutyltin
• 英文别名: butyltin(3+)
• CAS: 78763-54-9
• 化学式: C4H9Sn+3
• 分子量: 175.82
• InChiKey: NPAIMXWXWPJRES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  5
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

代谢

尽管锡金属的吸收非常差，但锡化合物可以通过口服、吸入或皮肤途径被吸收，有机锡化合物的吸收速度远比无机锡化合物快。锡可能进入血液并绑定到血红蛋白上，在体内分布并在肾脏、肝脏、肺和骨骼中积累。有机锡化合物可能在肝脏中通过细胞色素P-450酶催化发生脱烷基化、羟基化、脱芳香化和氧化。脱烷基化产生的烷基产物会与谷胱甘肽结合并进一步代谢成巯基尿酸衍生物。锡及其代谢物主要通过尿液和粪便排出体外。(L308)

Though tin metal is very poorly absorbed, tin compounds may be absorbed via oral, inhalation, or dermal routes, with organotin compounds being much more readily absorbed than inorganic tin compounds. Tin may enter the bloodstream and bind to hemoglobin, where it is distributed and accumulates mainly in the kidney, liver, lung, and bone. Organotin compounds may undergo dealkylation, hydroxylation, dearylation, and oxidation catalyzed by cytochrome P-450 enzymes in the liver. The alkyl products of dealkylation are conjugated with glutathione and further metabolized to mercapturic acid derivatives. Tin and its metabolites are excreted mainly in the urine and feces. (L308)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

有机锡化合物产生神经毒性和免疫毒性效应。有机锡可能直接激活胶质细胞，通过局部释放促炎细胞因子、肿瘤坏死因子-α和/或白细胞介素，从而促进神经细胞退化。它们还可能通过直接作用于神经细胞来诱导凋亡。有机锡化合物刺激脑组织中神经递质的释放和/或减少神经细胞对神经递质的摄取，包括天冬氨酸、GABA、谷氨酸、去甲肾上腺素和血清素。这可能是神经细胞丢失的一个促成因素或结果。有机锡的免疫毒性特征是由抑制未成熟胸腺细胞的增殖和成熟胸腺细胞的凋亡引起的胸腺萎缩。人们认为有机锡化合物通过抑制DNA和蛋白质合成、诱导参与凋亡的基因（如nur77）的表达以及破坏细胞内钙水平的调节来发挥这些效应，从而导致不受控制的活性氧种类的产生、细胞色素c释放到细胞质中以及凋亡的蛋白水解和核酸酶级联。未成熟胸腺细胞增殖的抑制进一步导致T细胞介导的免疫应答的抑制。有机锡也是内分泌干扰物，被认为通过不适当的受体激活导致脂肪细胞分化，从而促进肥胖。无机锡引发红细胞溶解，导致锡诱导的贫血。(L308, A182, A184)

Organotin compounds produce neurotoxic and immunotoxic effects. Organotins may directly activate glial cells contributing to neuronal cell degeneration by local release of pro-inflammatory cytokines, tumor necrosis factor-_, and/or interleukins. They may also induce apoptosis by direct action on neuronal cells. Organotin compounds stimulate the neuronal release of and/or decrease of neuronal cell uptake of neurotransmitters in brain tissue, including aspartate, GABA, glutamate, norepinephrine, and serotonin. This may be either a contributing factor to or result of the neuronal cell loss. The immunotoxic effects of organotins are characterized by thymic atrophy caused by the suppression of proliferation of immature thymocytes and apoptosis of mature thymocytes. Organotin compounds are believed to exert these effects by suppressing DNA and protein synthesis, inducing the expression of genes involved in apoptosis (such as nur77), and disrupting the regulation of intracellular calcium levels, giving rise to the uncontrolled production of reactive oxygen species, release of cytochrome c to the cytosol, and the proteolytic and nucleolytic cascade of apoptosis. The suppression of proliferation of immature thymocytes further results in the suppression of T-cell-mediated immune responses. Organotins are also endocrine disruptors and are believed to contribute to obesity by inappropriate receptor activation, leading to adipocyte differentiation. Inorganic tin triggers eryptosis, contributing to tin-induced anemia. (L308, A182, A184)

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

吸入或吞咽有机锡，或者皮肤接触有机锡，可能会干扰大脑和神经系统的工作方式，严重情况下可能导致死亡。有机锡化合物还可能损害免疫和生殖系统。

Breathing or swallowing, or skin contact with organotins, can interfere with the way the brain and nervous system work, causing death in severe cases. Organic tin compounds may also damage the immune and reproductive system. (L307, L308)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L308）；吸入（L308）；皮肤给药（L308）

Oral (L308) ; inhalation (L308) ; dermal (L308)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

无机或有机锡化合物放置在皮肤上或进入眼睛中可能会引起皮肤和眼睛的刺激。

Inorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. (L308)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为产物：
  描述：

  三丁基锡阳离子 生成 丁基锡
  参考文献：
  名称：

  VALKIRS, ALDIS O.;STALLARD, MARTHA O.;STANG, PETER M.;FRANK, STEVEN;SELIG+, ANALYST, 115,(1990) N0, C. 1327-1328

  摘要：

  DOI：

文献信息

• VALKIRS, ALDIS O.;STALLARD, MARTHA O.;STANG, PETER M.;FRANK, STEVEN;SELIG+, ANALYST, 115,(1990) N0, C. 1327-1328
  作者：VALKIRS, ALDIS O.、STALLARD, MARTHA O.、STANG, PETER M.、FRANK, STEVEN、SELIG+

  DOI：——

  日期：——