4-Aminobiphenyl
SmallMolecule
T3DB_ID
T3D0232
描述
4-Aminobiphenyl is an amine derivative of biphenyl. It is used to manufacture azo dyes. It is a known human carcinogen and so it has been largely replaced by less toxic compounds. It is similar to benzidine.
类别
"Cigarette Toxin", "Industrial/Workplace Toxin", "Pollutant", "Airborne Pollutant", "Food Toxin", "Synthetic Toxin"
同义词
"(1,1'-Biphenyl)-4-amine", "(4-phenyl-phenyl)-amine", "4-Amino-1,1'-biphenyl", "4-Aminodiphenyl", "4-Biphenylamine", "4-Biphenylamine hydrochloride", "4-Biphenylylamine", "4-Phenylaniline", "Aminobiphenyl", "Biphenyl-4-amine", "Biphenyl-4-ylamine", "Biphenylamine", "p-Aminobiphenyl", "p-Aminodiphenyl", "p-Biphenylamine", "p-Phenylaniline", "p-Xenylamine", "Paraaminodiphenyl", "Xenylamine", "[1,1'-Biphenyl]-4-amine", "[1,1'-biphenyl]-4-ylamine", "{[1,1'-Biphenyl]-4-amine}"
CAS登记号
92-67-1
化学式
C12H11N
平均分子量
169.2224
单同位素质量
169.089149357
IUPAC 名称
[1,1'-biphenyl]-4-amine
传统名称
4-aminobiphenyl
简化分子线性输入规范
NC1=CC=C(C=C1)C1=CC=CC=C1
InChI 标识符
InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
InChIKey=DMVOXQPQNTYEKQ-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Benzenoids
类型
Benzene and substituted derivatives
子类
Biphenyls and derivatives
直接大类
Biphenyls and derivatives
另外分类
"Aniline and substituted anilines", "Hydrocarbon derivatives", "Organopnictogen compounds", "Primary amines"
取代基
"Amine", "Aniline or substituted anilines", "Aromatic homomonocyclic compound", "Biphenyl", "Hydrocarbon derivative", "Organic nitrogen compound", "Organonitrogen compound", "Organopnictogen compound", "Primary amine"
分子框架
Aromatic homomonocyclic compounds
外部描述符
"aminobiphenyl"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Membrane"
生物流体位置
组织位置
途径
状态
Solid
外貌
White powder.
熔点/沸点/溶解度
53.5°C//
日志P
2.86
暴露途径
Oral (T36) ; inhalation (T36) ; dermal (T36)
毒性机制
4-Aminobiphenyl requires metabolic activation in order to exert its toxicity. This is catalyzed by N-hydroxylation via cytochrome P450 1A2, then followed by O-sulfation and O-acetylation by sulfotransferase 1A1 and arylamine N-acetyltransferase 2. The metabolites of 4-aminobiphenyl may form adducts with DNA, inducing mutations. 4-Aminobiphenyl and its metabolites may also cross the placenta and have fetal effects. (A2454, A2455, A2456, A2457)
代谢
4-Aminobiphenyl exposure can be assayed by measuring the extent of adduct formation with hemoglobin. 4-Aminobiphenyl metabolism is catalyzed by N-hydroxylation via cytochrome P450 1A2. It is then followed by O-sulfation and O-acetylation by sulfotransferase 1A1 and arylamine N-acetyltransferase 2. The urinary metabolites of 4-aminobiphenyl include 4-acetylaminobiphenyl, 4'-hydroxy-4-aminobiphenyl, 2'-hydroxy-4-acetylaminobiphenyl, 4'-hydroxy-4-acetylaminobiphenyl, 3'-hydroxy, 4'-methoxy-4-acetylaminobiphenyl, 4'-hydroxy, 3'-methoxy-4-acetylaminobiphenyl, and 3',4'-dihydroxy-4-acetylaminobiphenyl. (T36, A2457)
毒性值
LD50: 205 mg/kg (Oral, Mouse) (T14)
致死剂量
致癌性
1, carcinogenic to humans. (L135)
用途/来源
4-Aminobiphenyl is used to manufacture azo dyes and is also found in tobacco smoke. (L1654, A2455)
最低风险等级
健康影响
4-Aminobiphenyl is a known human carcinogen. It may also cause methemoglobinemia. (L135, T36)
症状
Symptoms of 4-aminobiphenyl may include dyspnea, headache, dizziness, lethargy, and ataxia. (T36)
治疗
药库 ID
HMDB_ID
HMDB13195
PubChem 化合物 ID
7102
维基百科链接
http://en.wikipedia.org/wiki/4-Aminobiphenyl
创建于
2009-03-06 18:58:20 UTC
更新于
2014-12-24 20:21:23 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0232 4-Aminobiphenyl Fas-binding factor 1
T3D0232 4-Aminobiphenyl DNA
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