4-乙酰氨基苯基砷酸 | 618-22-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-乙酰氨基苯基砷酸
• 英文名称: arsacetin
• 英文别名: (4-acetylamino-phenyl)-arsonic acid；(4-Acetylamino-phenyl)-arsonsaeure；4-Acetamino-phenylarsonsaeure；N-Acetyl-arsanilsaeure；4-Acetamino-phenylarsinsaeure；4-acetamidophenylarsonic acid；(4-acetamidophenyl)arsonic acid
• CAS: 618-22-4
• 化学式: C₈H₁₀AsNO₄
• 分子量: 259.093
• InChiKey: LTGKKKITNWDUCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.79
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

ADMET

代谢

硫酸钡化合物通过摄入和吸入被吸收，其程度取决于具体化合物。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。

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. (L214)

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的降低，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引起的神经肌肉阻滞和膜去极化。

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. (L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

3, 其对人类致癌性无法分类。

3, not classifiable as to its carcinogenicity to humans. (L135)

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，而更高的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。

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. (L214)

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)

毒理性

• 症状

摄入过量的钡可能导致呕吐、腹部绞痛、腹泻、呼吸困难、血压升高或降低、面部周围麻木和肌肉无力。高剂量可能引起心脏节律变化或麻痹，甚至可能死亡。

Ingesting excess barium may cause vomiting, abdominal cramps, diarrhea, difficulties in breathing, increased or decreased blood pressure, numbness around the face, and muscle weakness. High levels may result in changes in heart rhythm or paralysis and possibly death. (L214)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  4-乙酰氨基苯基砷酸 在 氢氧化钾 、 硫酸 、 硝酸 作用下， 生成 洛克沙砷
  参考文献：
  名称：

  Benda, Chemische Berichte, 1911, vol. 44, p. 3451 Anm.

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 、 trisodium arsenite 作用下， 生成 4-乙酰氨基苯基砷酸
  参考文献：
  名称：

  Schmidt, Justus Liebigs Annalen der Chemie, 1920, vol. 421, p. 173

  摘要：

  DOI：

文献信息

• (2-Phenyl-[1,3,2]dithiarsolan-4-yl)-methanol derivatives show in vitro antileukemic activity
  作者：Stéphane Gibaud、Raphaël Alfonsi、Pierre Mutzenhardt、Isabelle Fries、Alain Astier

  DOI：10.1016/j.jorganchem.2005.11.007

  日期：2006.2

  The antileukemic activity of a series of (2-Phenyl-[1,3,2]dithiarsolan-4-yl)-methanol derivatives was tested on K562 and U937 human leukemia cell lines. Their systemic toxicity was estimated by the corresponding LD50 on mice. The cytotoxic activity of each derivative was significantly better than that of arsenic trioxide and the therapeutic index (T.I. = LD50/IC50) was improved. No correlation between log P and the activity or the toxicity was found. (c) 2005 Elsevier B.V. All rights reserved.
• Bart, Justus Liebigs Annalen der Chemie, 1922, vol. 429, p. 100
  作者：Bart

  DOI：——

  日期：——
• CCCCXXI.—Trypanocidal action and chemical constitution. Part X. Arylthioarsinites
  作者：Aaron Cohen、Harold King、Winifred I. Strangeways

  DOI：10.1039/jr9310003043

  日期：——
• DE250264
  申请人：——

  公开号：——

  公开（公告）日：——
• DE191548
  申请人：——

  公开号：——

  公开（公告）日：——