ZINC ethane

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: ZINC ethane
• 英文别名: zinc;ethane
• 化学式: C4H10Zn
• 分子量: 123.5
• InChiKey: IPSRAFUHLHIWAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

代谢

锌可以通过肺部、皮肤和胃肠进入人体。肠道对锌的吸收由锌载体蛋白CRIP控制。锌还与金属硫蛋白结合，帮助防止过量锌的吸收。锌广泛分布并在所有组织和组织液中找到，特别是在肝脏、胃肠道、肾脏、皮肤、肺、大脑、心脏和胰腺中含量较高。在血液中，锌存在于红细胞中的碳酸酐酶结合物中，以及血浆中的白蛋白、α2-巨球蛋白和氨基酸结合物中。白蛋白和氨基酸结合的锌可以扩散穿过组织膜。锌通过尿液和粪便排出体外。

Zinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (L49)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

缺铁性贫血是由于锌的过度吸收抑制了铜和铁的吸收，这很可能是通过肠道粘膜细胞的竞争性结合实现的。铜和锌与铜锌超氧化物歧化酶结合的不平衡水平与肌萎缩侧索硬化症（ALS）有关。胃酸能溶解金属锌，生成腐蚀性的氯化锌，这可能会损伤胃粘膜。金属烟雾热被认为是对吸入锌的免疫反应。（L48, L49, A49）

Anaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (L48, L49, A49)

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

长期接触锌会导致贫血、运动失调、乏力，并降低体内的好胆固醇水平。还认为它会导致胰腺和生殖损害。

Chronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (L49)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

吸入（L49）；口服（L49）；皮肤给药（L49）

Inhalation (L49) ; oral (L49) ; dermal (L49)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

摄入大剂量的锌会导致胃痉挛、恶心和呕吐。急性吸入大量锌会引起金属烟雾热，其特征是寒战、发热、头痛、乏力、鼻和喉咙干燥、胸痛和咳嗽。锌与皮肤的接触会导致皮肤刺激。

Ingestion of large doses of zinc causes stomach cramps, nausea, and vomiting. Acute inhalation of large amounts of zinc causes metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Dermal contact with zinc results in skin irritation. (L49)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为试剂：
  描述：

  5-bromo-6-methyl-pyridine-2-carboxylic acid isopropyl ester 、 、 盐酸 、 1,4-二氧六环 在 ZINC ethane 乙酸乙酯 、 二氯甲烷 、 碳酸氢钠 、 magnesium sulfate 、 crude product 、 silica gel 、 正庚烷 作用下， 以 ice water 、 乙酸乙酯 为溶剂， 反应 18.0h， 以to give 5-ethyl-6-methyl-pyridine-2-carboxylic acid isopropyl ester (7.08 g) as a pale yellow oil的产率得到5-ethyl-6-methyl-pyridine-2-carboxylic acid isopropyl ester
  参考文献：
  名称：

  Pyridine derivatives as S1P1/EDG1 receptor modulators

  摘要：

  本发明涉及公式（D）的新型吡啶衍生物，其制备方法以及其作为药物活性化合物的用途。所述化合物特别作为免疫调节剂。公式（I）其中A代表，其他取代基如权利要求所定义。

  公开号：

  US08598208B2