1,1,1-trichloro-2,2-bis-(4-methylsulfanyl-phenyl)-ethane | 19679-38-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1,1-trichloro-2,2-bis-(4-methylsulfanyl-phenyl)-ethane
• 英文别名: 1,1,1-Trichlor-2,2-bis-(4-methylmercapto-phenyl)-aethan；Methiochlor；1-methylsulfanyl-4-[2,2,2-trichloro-1-(4-methylsulfanylphenyl)ethyl]benzene
• CAS: 19679-38-0
• 化学式: C₁₆H₁₅Cl₃S₂
• 分子量: 377.786
• InChiKey: LBWJWHHOEQICIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

代谢

甲硫氯被提议通过氧化代谢为2-(对-甲磺酰基苯基)-2-(对-甲硫基苯基)-1,1,1-三氯乙烷，并通过进一步氧化为相应的双磺酰氧化物和双磺酰胺（A284）。

Methiochlor is proposed to be metabolized by oxidation to 2-(p-methylsulfinylphenyl)-2-(p - methylthiophenyl) - 1,1,1 - trichloroethane and by further oxidation to the corresponding bis-sulfoxide and bis-sulfone (A284).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

至少有四种机制可能同时发挥作用。甲氧氯减少了跨膜的钾传输。甲氧氯改变了钠离子通过的孔隙通道。这些通道通常激活（打开），但关闭（关闭）缓慢，从而干扰了在复极化过程中钠离子从神经轴突主动运输的过程。甲氧氯抑制了神经细胞的腺苷三磷酸酶（ATP酶），尤其是Na+K+-ATP酶和Ca2+-ATP酶，这些在神经细胞复极化中起着至关重要的作用。甲氧氯还抑制了钙调蛋白（神经中的钙介质）运输钙离子的能力，这对于神经递质的释放至关重要。所有这些被抑制的功能都降低了去极化的速率，并增加了神经元对那些在完全去极化的神经元中不会引起反应的小刺激的敏感性。

At least four mechanisms, possibly all functioning simultaneously. Methiochlor reduces potassium transport across the membrane. Methiochlor alters the porous channels through which sodium ions pass. These channels activate (open) normally but are inactivated (closed) slowly, thus interfering with the active transport of sodium out of the nerve axon during repolarization. Methiochlor inhibits neuronal adenosine triphosphatases (ATPases), particularly Na+K+-ATPase, and Ca2+-ATPase which play vital roles in neuronal repolarization. Methiochlor also inhibits the ability of calmodulin, a calcium mediator in nerves, to transport calcium ions that are essential for the release of neurotransmitters. All these inhibited functions reduce the rate of depolarization and increase the sensitivity of neurons to small stimuli that would not elicit a response in a fully depolarized neuron. (T10)

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

过度兴奋，焦虑（T10）

Hyperexcitability, anxiety (T10)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口腔

Oral

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

震颤（周围神经性）（T10）

Tremor (peripheral) (T10)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  1,1,1-trichloro-2,2-bis-(4-methylsulfanyl-phenyl)-ethane 在 氨 、 锌 作用下， 生成 trans-1,2-di-p-methylthiophenylethylene
  参考文献：
  名称：

  Vitali, Chimica, 1952, vol. 7, p. 84,86

  摘要：

  DOI：
• 作为产物：
  描述：

  茴香硫醚 、 三氯乙醛 在 硫酸 作用下， 生成 1,1,1-trichloro-2,2-bis-(4-methylsulfanyl-phenyl)-ethane
  参考文献：
  名称：

  A general model for short-term interest rates

  摘要：

  A general one-factor model for short-term interest rates is proposed. Besides the long memory fractionally integrated mean process, the model also consists of a power function: of the interest rate as well as the GARCH effect in the conditional variance. The estimation results show that, while there is no evidence for fractional integration in the mean beyond the well-known martingale property, both the power function of the interest rate: and the GARCH effect (but not the ARCH effect) are highly significant in-the formation of the conditional variance. Test results also confirm a structure change in October 1979 due to the shift in the Federal Reserve monetary policy.

  DOI：

  10.1080/000368400322813

文献信息

• Caccia Bava; Vitali, Chimica, 1950, vol. 5, p. 173,176
  作者：Caccia Bava、Vitali

  DOI：——

  日期：——
• US2472269
  申请人：——

  公开号：——

  公开（公告）日：——