[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury;hydrate | 486-67-9

• 物质功能分类: 原料药 - 泌尿系统用药 - 利尿药
• 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: [3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury;hydrate
• CAS: 486-67-9
• 化学式: C13H18HgNO6
• 分子量: 484.88
• InChiKey: GCUOGPZRDRUOAP-UHFFFAOYSA-N

物化性质

• 熔点：
  192-193 °C (dec.)(lit.)
• 溶解度：
  NH4OH：清澈至浑浊
• 沸点：
  377.6 - 379.4
• 稳定性/保质期：

  按规格使用和贮存，不会发生分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  85.9
• 氢给体数：
  3
• 氢受体数：
  6

ADMET

代谢

有机汞主要通过消化道吸收，随后通过血液流布全身。有机汞与自由的半胱氨酸以及血红蛋白（Hgb）等蛋白质上的半胱氨酸和巯基团形成复合物。这些复合物起到模仿甲硫氨酸的作用，因此被运输到全身各处。这包括穿越血脑屏障和胎盘。

Organic mercury is absorbed primarily in the gastrointestinal tract, followed by distribution throughout the body via the bloodstream. Organic mercury forms a complex with free cysteine and the cysteine and sulfhydryl groups on proteins such as hemoglobin (Hgb). These complexes function to mimic methionine and, as a result, are transported throughout the body. This includes travel across the blood-brain barrier and across the placenta.

来源:DrugBank

毒理性

• 副作用

神经毒素 - 感觉运动

Neurotoxin - Sensorimotor

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

吸收、分配和排泄

• 消除途径

有机汞代谢成无机汞，最终通过尿液和粪便排出体外。

Organic mercury is metabolized into inorganic mercury, which is eventually excreted in the urine and feces.

来源:DrugBank

吸收、分配和排泄

• 清除

肝胆排泄是针对mersayl的研究在孤立灌注的大鼠肝脏和孤立的大鼠肝细胞质膜泡中进行的。在孤立灌注的肝脏中，mersalyl被发现立即被灌注介质吸收，并浓缩排入胆汁。摄取的特征是饱和动力学（S）0.5 = 20微M，Vmax = 117 nmoles/min/g肝脏，mersalyl结合位点的协同作用，细胞外钠的刺激和温度依赖性。mersalyl进入基底外侧膜泡的摄取也表现出载体介导运输的特征，取决于泡外钠，mersalyl结合位点的协同作用，温度依赖性和泡内非放射性mersalyl的跨刺激。发现摄取受到α-萘乙酸和巯基团试剂的抑制，这表明载体上的巯基团和羧酸阴离子的结合位点参与其中。孤立灌注肝脏和孤立基底外侧泡的数据表明，mersalyl进入肝脏是通过载体介导的。摄取机制和驱动力与诸如牛磺胆酸等化学相关化合物的摄取机制和驱动力相似。因此，推测mersalyl可能通过接受各种化学不相关化合物的载体分子进行运输。

The hepatobiliary excretion of mersayl was studied in the isolated perfused rat liver and in isolated rat liver plasma membrane vesicles. In the isolated perfused liver, mersalyl was found to be immediately absorbed by the perfusion medium and concentratively excreted into bile. Uptake is characterized by saturation kinetics (S)0.5 = 20 microM, Vmax = 117 nmoles/min/g liver, cooperatively of mersalyl binding sites, stimulation by extracellular sodium and temperature dependence. Uptake of mersalyl into basolateral membrane vesicles also demonstrates characteristics of a carrier-mediated transport, dependence on extravesicular sodium, cooperativity of mersalyl binding sites, temperature dependence and trans-stimulation by intravesicular non-radioactive mersalyl. Uptake was found to be inhibited by alpha-naphthylacetic acid and mercapto group reagents, suggesting involvement of mercapto groups on the carrier and a binding site for carboxylic anions. Data from the isolated perfused liver and from isolated basolateral vesicles suggest that mersalyl uptake into the liver is carrier mediated. Uptake mechanism and driving forces appear analogous to those for the uptake of chemically related compounds such as taurocholic acid. It is, therefore, speculated that mersalyl may be transported by carrier molecules which accept various chemically unrelated compounds.

来源:DrugBank

安全信息

• 危险等级：
  6.1(a)
• 危险品标志：
  T+,N
• 安全说明：
  S13,S28,S36,S45,S60,S61
• 危险类别码：
  R33,R50/53,R26/27/28
• WGK Germany：
  3
• 包装等级：
  II
• 危险类别：
  6.1(a)

制备方法与用途

合成制备方法

暂无相关信息。

用途

暂无相关信息。