S-Phenylmercapturic Acid
(Synonyms: S-苯汞基酸) 目录号 : GC41628A metabolite of benzene
Cas No.:4775-80-8
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
S-Phenylmercapturic acid (S-PMA) is a metabolite of benzene used as a biomarker for benzene exposure in humans. In industrial workers, urinary concentrations of up to 543 µg/g creatinine have been detected. In a study of benzene exposure through tobacco smoke inhalation in humans, smokers had a urinary concentration of 9.1 µg S-PMA/g creatinine compared with 4.8 µg S-PMA/g creatinine in non-smokers.
| Cas No. | 4775-80-8 | SDF | |
| 别名 | S-苯汞基酸 | ||
| Canonical SMILES | OC([C@@H](NC(C)=O)CSC1=CC=CC=C1)=O | ||
| 分子式 | C11H13NO3S | 分子量 | 239.3 |
| 溶解度 | DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS (pH 7.2) (1:7): 0.12 mg/ml,Ethanol: 5 mg/ml | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 4.1789 mL | 20.8943 mL | 41.7885 mL |
| 5 mM | 0.8358 mL | 4.1789 mL | 8.3577 mL |
| 10 mM | 0.4179 mL | 2.0894 mL | 4.1789 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
S-Phenylmercapturic Acid (S-PMA) levels in urine as an indicator of exposure to benzene in the Kinshasa population
Int J Hyg Environ Health 2013 Jul;216(4):494-8.PMID:23619091DOI:10.1016/j.ijheh.2013.03.012.
Background and objectives: Data on human exposure to chemicals in Africa are scarce. A biomonitoring study was conducted in a representative sample of the population in Kinshasa (Democratic Republic of Congo) to document exposure to benzene. Methods: S-Phenylmercapturic Acid (S-PMA) was measured by LC-MS/MS in spot urine samples from 220 individuals (50.5% women), aged 6-70 years living in the urban area and from 50 additional subjects from the sub-rural area of Kinshasa. Data were compiled as arithmetic means, geometric means, percentile 95th and range expressed in μg/L. Results: Overall, living in urban Kinshasa was associated with increased levels of S-PMA in urine as compared to a population living in the sub-rural area. Increased levels were also found by comparison with some date from literature. Conclusions: This study reveals the high benzene exposure of the Kinshasa population requiring the determination of benzene concentrations in ambient air of Kinshasa and limit values for the protection of human health.
Biomonitoring of the benzene metabolite S-Phenylmercapturic Acid and the toluene metabolite s-benzylmercapturic acid in urine from firefighters
Toxicol Lett 2020 Sep 1;329:20-25.PMID:32380125DOI:10.1016/j.toxlet.2020.04.018.
The aim of this study was to determine firefighter's exposure to benzene and toluene during a fire drill by monitoring air benzene and toluene, and their corresponding urinary metabolites. A liquid chromatography mass spectrometry (LC-MS) method with a minimal of sample preparation steps was developed for the benzene metabolite S-Phenylmercapturic Acid (SPMA) and the toluene metabolite s-benzylmercapturic acid (SBMA) in urine. Urine samples and air samples were collected from nine firefighters during and after a fire drill in a non-environmentally refurbished house. Benzene and toluene were detected in the air samples with a median concentration of 15.5 ppm and 3.2 ppm, respectively. The metabolites SPMA and SBMA was also detected in all urine samples donated ≥ three hours after the fire drill with a median concentration of 0.6 μg/g creatinine and 5.9 μg/g creatinine, respectively. By our knowledge, this is the first study detecting SPMA in urine from firefighters.
Magnetic molecularly imprinted polymers for extraction of S-Phenylmercapturic Acid from urine samples followed by high-performance liquid chromatography
J Mol Recognit 2021 Nov;34(11):e2930.PMID:34432338DOI:10.1002/jmr.2930.
In this study, magnetic molecularly imprinted polymers (MMIPs) were prepared and used as sorbents for extraction of S-Phenylmercapturic Acid (S-PMA) from urine samples, followed by high-performance liquid chromatography ultraviolet-visible (HPLC-UV/Vis) analysis. The MMIPs were synthesized by the copolymerization reaction of (phenylthio) acetic acid (template molecule), methacrylic acid (functional monomers) and ethylene glycol dimethacrylate (cross-linkers). The morphology, structure property and surface groups of the prepared MMIPs were characterized by scan electron microscopy, transmission electron microscopy, infrared spectroscopy, X-ray diffraction pattern, thermogravimetric analyses, Brunauer-Emmett-Teller and vibrating sample magnetometer. The selectivity of the MMIPs was investigated in the presence of interferents. Various parameters affecting the S-PMA extraction efficiency were investigated, including MMIPs amount, pH, sample volume, desorption solvent, as well as extraction and desorption time. The obtained optimal parameters were as follows: MMIPs amount (20 mg), pH (3.0), sample volume (5 mL), desorption solvent (methanol/acetic acid [9/1, v/v]), extraction time (30 minutes) and desorption time (2 minutes). The method was validated according to the Food and Drug Administration Guidance for Industry on Bioanalytical Method Validation. The calibration curve for the analyte was linear in the concentration range of 0.030-1.0 mg/L (r = 0.9995). The LOD and LOQ of the method were 0.0080 and 0.0267 mg/L, respectively. The enrichment factor of the MMIPs was 5. The relative standard deviations of intra- and inter-day tests were in the range of 3.8-5.1% and 3.9-6.3%, respectively. The recoveries at three different concentrations of 0.10, 0.50 and 0.80 mg/L ranged between 95.2% and 98.6%. In addition, the MMIPs could be reused for at least eight times. The proposed method was successfully applied to the determination of S-PMA in urine samples. In addition, this developed method could be used as a tool in the early screening and clinical diagnosis of benzene intoxication.
An efficient analytical method for determination of S-Phenylmercapturic Acid in urine by HPLC fluorimetric detector to assessing benzene exposure
J Chromatogr B Analyt Technol Biomed Life Sci 2017 Sep 15;1063:136-140.PMID:28863335DOI:10.1016/j.jchromb.2017.07.039.
Benzene is an important occupational and environmental contaminant, naturally present in petroleum and as by-product in the steel industry. Toxicological studies showed pronounced myelotoxic action, causing leukemic and others blood cells disorders. Assessing of benzene exposure is performed by biomarkers as trans, trans-muconic acid (AttM) and S-Phenylmercapturic Acid (S-PMA) in urine. Due to specificity of S-PMA, this biomarker has been proposed to asses lower levels of benzene in air. The aim of this study was to validate an analytical method for the quantification of S-PMA by High-Performance Liquid Chromatography with fluorometric detector. The development of an analytical method of S-PMA in urine was carried out by solid phase extraction (SPE) using C-18 phase. The eluated were submitted to water bath at 75°C and nitrogen to analyte concentration, followed by alkaline hydrolysis and derivatization with monobromobimane. The chromatography conditions were reverse phase C-18 column (240mm, 4mm and 5μm) at 35°C; acetonitrile and 0.5% acetic acid (50:50) as mobile phase with a flow of 0.8mL/min. The limits of detection and quantification were 0.22μg/L and 0.68μg/L, respectively. The linearity was verified by simple linear regression, and the method exhibited good linearity in the range of 10-100μg/L. There was no matrix effect for S-PMA using concentrations of 40, 60, 80 and 100μg/L. The intra- and interassay precision showed coefficient of variation of less than 10% and the recovery ranged from 83.4 to 102.8% with an average of 94.4%. The stability of S-PMA in urine stored at -20°C was of seven weeks. The conclusion is that this method presents satisfactory results per their figures of merit. This proposed method for determining urinary S-PMA showed adequate sensitivity for assessment of occupational and environmental exposure to benzene using S-PMA as biomarker of exposure.
Large Differences in Urinary Benzene Metabolite S-Phenylmercapturic Acid Quantitation: A Comparison of Five LC-MS-MS Methods
J Anal Toxicol 2021 Aug 14;45(7):657-665.PMID:33025019DOI:10.1093/jat/bkaa137.
Benzene is a known genotoxic carcinogen linked to many hematological abnormalities. S-Phenylmercapturic Acid (PHMA, N-acetyl-S-(phenyl)-L-cysteine, CAS# 4775-80-8) is a urinary metabolite of benzene and is used as a biomarker to assess benzene exposure. Pre-S-phenylmercapturic acid (pre-PHMA) is a PHMA precursor that dehydrates to PHMA at acidic pH. Published analytical methods that measure urinary PHMA adjust urine samples to a wide range of pH values using several types of acid, potentially leading to highly variable results depending on the concentration of pre-PHMA in a sample. Information is lacking on the variation in sample preparation among laboratories regularly measuring PHMA and the effect of those differences on PHMA quantitation in human urine samples. To investigate the differences in PHMA quantitation, we conducted an inter-laboratory comparison that included the analysis of 50 anonymous human urine samples (25 self-identified smokers and 25 self-identified non-smokers), quality control samples and commercially available reference samples in five laboratories using different analytical methods. Observed urinary PHMA concentrations were proportionally higher at lower pH, and results for anonymous urine samples varied widely among the methods. The method with the neutral preparation pH yielded results about 60% lower than the method using the most acidic conditions. Samples spiked with PHMA showed little variation, suggesting that the variability in results in human urine samples across methods is driven by the acid-mediated conversion of pre-PHMA to PHMA.