Caffeine (CRM)
(Synonyms: Methyltheobromine, NSC 5036) 目录号 : GC45396A methylxanthine alkaloid
Cas No.:58-08-2
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
Caffeine (CRM) is a certified reference material categorized as a stimulant.1 It is also used as a cutting agent for cocaine and heroin.2,3 This product is intended for analytical forensic applications. This product is also available as a general research tool .
References
1. Judelson, D.A., Preston, A.G., Miller, D.L., et al. Effects of theobromine and caffeine on mood and vigilance. J. Clin. Psychopharmacol. 33(4), 499-506 (2013).
2. Davies, S., Wood, D.M., Smith, G., et al. Purchasing 'legal highs' on the internet-is there consistency in what you get• Q.J.M. 103(7), 489-493 (2010).
3. BrosÉus, J., Gentile, N., and Esseiva, P. The cutting of cocaine and heroin: A critical review. Forensic Sci. Int. 262, 73-83 (2016).
| Cas No. | 58-08-2 | SDF | |
| 别名 | Methyltheobromine, NSC 5036 | ||
| Canonical SMILES | CN1C(N(C)C(N=CN2C)=C2C1=O)=O | ||
| 分子式 | C8H10N4O2 | 分子量 | 194.2 |
| 溶解度 | Soluble in DMSO | 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 | 5.1493 mL | 25.7467 mL | 51.4933 mL |
| 5 mM | 1.0299 mL | 5.1493 mL | 10.2987 mL |
| 10 mM | 0.5149 mL | 2.5747 mL | 5.1493 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。
ex vivo-in vivo comparison of drug penetration analysis by confocal Raman microspectroscopy and tape stripping
Exp Dermatol 2022 Dec;31(12):1908-1919.PMID:36055759DOI:10.1111/exd.14672.
When it comes to skin penetration analysis of a topically applied formulation, the number of suitable methods is limited, and they often lack in spatial resolution. In vivo studies are pivotal, especially in the approval of a new product, but high costs and ethical difficulties are limiting factors. For that reason, good ex vivo models for testing skin penetration are crucial. In this study, Caffeine was used as a hydrophilic model drug, applied as a 2% (w/w) hydrogel, to compare different techniques for skin penetration analysis. Confocal Raman microspectroscopy (CRM) and tape stripping with subsequent HPLC analysis were used to quantify Caffeine. Experiments were performed ex vivo and in vivo. Furthermore, the effect of 5% (w/w) 1,2-pentanediol on Caffeine skin penetration was tested, to compare those methods regarding their effectiveness in detecting differences between both formulations.
Comprehensive Isotope Ratio Metabolomics: Gas chromatography Isotope Ratio Mass Spectrometry of urinary metabolites and exhaled breath
Anal Chim Acta 2021 Jul 25;1170:338606.PMID:34090584DOI:10.1016/j.aca.2021.338606.
We have developed an analytical procedure to measure the carbon isotopic composition of multiple compounds even when there is a partial overlap in the chromatographic profiles and applied this procedure to measure the carbon isotopic composition of different metabolites in human urine and exhaled breath. Method development and validation was performed with CRM IAEA-600 Caffeine after calibration of the reference CO2 gas using a mixture of certified undecane, pentadecane and eicosane δ(13C) standards. The alternative data treatment procedure included the correction of time-lag between Faraday cup amplifiers (44 ms at mass 45 and -160 ms at mass 46), the calculation and correction of chromatographic isotope effects on each peak (isotope shifts) and the calculation of the isotope ratio for each compound using the linear regression slope procedure with data only at the top of the chromatographic peak. In that way, partial chromatographic overlap between different metabolites can be tolerated (resolution equal or higher than 1). The reproducibility (SD) of the carbon isotope composition of 93 metabolites in human urine (n = 8) from one volunteer was typically better than 0.5 δ(13C) (range 0.1-2.0 δ(13C), median 0.4 δ(13C)). The method was applied to follow the carbon isotope composition of different metabolites in human urine and exhaled breath after the oral administration of 100 mg of universally labelled 13C-glucose to another human volunteer. It was demonstrated that isotopically labelled compounds could be detected in both samples even 2 h after administration. So, the developed methodology can be applied to multiple types of samples containing a large number of partially overlapping analytes including environmental applications, anti-doping control or metabolomics studies, including the use of enriched isotope tracers.
A New Method for In-Situ Skin Penetration Analysis by Confocal Raman Microscopy
Molecules 2020 Sep 15;25(18):4222.PMID:32942565DOI:10.3390/molecules25184222.
In the development of dermal drug formulations and cosmetics, understanding the penetration properties of the active ingredients is crucial. Given that widespread methods, including tape stripping, lack in spatial resolution, while being time- and labour-intensive, Confocal Raman Microscopy is a promising alternative. In optimizing topically applied formulations, or the development of generic formulations, comparative in-situ measurements have a huge potential of saving time and resources. In this work, we show our approach to in-situ skin penetration analysis by confocal Raman Microscopy. To analyse feasibility of the approach, we used Caffeine solutions as model vehicles and tested the effectiveness of 1,2-pentanediol as a penetration enhancer for delivery to the skin.