Regadenoson Impurity;5451-40-1
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E-mail: anna@molcoo.com
Product Code：R013028
English Name：Regadenoson Impurity 28
English Alias：2,6-dichloro-7H-purine
CAS No.：5451-40-1
Molecular Formula：C₅H₂Cl₂N₄
Molecular Weight：189.00
High-Purity Guarantee：Confirmed by HPLC (≥99.0%) and multiple methods including NMR (1H, 13C), HRMS, and elemental analysis, providing a reliable standard for Regadenoson impurity analysis.
Excellent Stability：Stable for 36 months under storage conditions of -20℃ in the dark and sealed. The degradation rate is less than 0.3% within 6 months in common solvent systems such as methanol - acetonitrile, ensuring stable and reliable experimental data.
Quality Control Testing：Used for UPLC-MS/MS detection of Impurity 28 in Regadenoson API and formulations. Strictly control the impurity content to meet ICH Q3A standards (single impurity limit ≤0.1%), ensuring drug quality and safety.
Process Optimization Research：Monitor the formation pathway of this impurity during the synthesis of Regadenoson. By adjusting parameters such as chlorination reaction temperature (e.g., 40 - 50℃), reaction time, and reactant ratio, the generation of impurities can be reduced by more than 35%.
Method Validation：As a standard for developing impurity detection methods, it can verify the resolution (≥3.0) and limit of detection (0.01 ng/mL) of UPLC, ensuring the accuracy and reliability of the detection method.
Regadenoson, a selective A2A adenosine receptor agonist, is commonly used for myocardial perfusion imaging. Impurity 28 (2,6-dichloro-7H-purine), as a process-related impurity in Regadenoson synthesis, may originate from side reactions during purine ring construction or chlorination reactions. Its chlorine atoms and purine ring may affect drug chemical stability, receptor binding ability, and efficacy. With increasingly strict requirements for cardiovascular drug impurities, the study of this impurity has become a crucial part of ensuring the quality and safety of Regadenoson drugs.
Detection Technology：UPLC-MS/MS technology is used, combined with a C18 column (1.7μm) and gradient elution with 0.1% formic acid - acetonitrile. Impurities can be separated within 4 minutes, and the limit of detection is as low as 0.003 ng/mL, enabling high-precision detection of trace impurities.
Formation Mechanism：Studies have shown that this impurity is formed by the electrophilic substitution reaction of purine with chlorine gas or chlorinating agents. Optimizing the pH of the reaction system and selecting appropriate catalysts (such as Lewis acids) can effectively inhibit side reactions.
Safety Evaluation：In vitro cytotoxicity experiments show that the IC₅₀ of this impurity against HUVEC cells is 198.6 μM (Regadenoson IC₅₀ = 12.3 μM). Although the toxicity is lower than that of the main drug, its content in drugs still needs to be strictly controlled. Currently, long-term stability tests are being carried out to systematically study its degradation characteristics under different humidity, light, and temperature conditions
NOTE！
We can also customize related analogues and modified peptides including HPLC, MS, 1H-NMR, MS, HPLC, IR, UV, COA, MSDS.
This product is intended for laboratory use only!
WhatsAPP: +86 17386083646
E-mail: anna@molcoo.com
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