Regadenoson Impurity;13276-52-3
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E-mail: anna@molcoo.com
Product Code：R013031
English Name：Regadenoson Impurity 31
English Alias：(2S,3R,4S,5R)-2-(2,6-dichloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS No.：13276-52-3
Molecular Formula：C₁₀H₁₀Cl₂N₄O₄
Molecular Weight：321.12
High-Purity Reference Standard：Confirmed by HPLC (≥99.0%), NMR (1H, 13C), HRMS, and elemental analysis, suitable for Regadenoson impurity analysis and quality control.
Stability Assurance：Stable for 36 months at -20℃ under light-protected, sealed storage; degradation rate <0.3% in methanol-water mixture within 6 months.
Quality Control Testing：Used for UPLC-MS/MS detection of Impurity 31 in Regadenoson API and formulations, controlling content to meet ICH Q3A standards (single impurity limit ≤0.1%).
Process Optimization Research：Monitors impurity formation during Regadenoson synthesis, reducing generation by >30% by adjusting chlorination temperature (e.g., 50-60℃) and reaction time.
Method Validation：Serves as a standard for developing impurity detection methods, verifying UPLC resolution (≥3.0) and LOD (0.01 ng/mL).
Regadenoson, a selective A2A adenosine receptor agonist, is used for myocardial perfusion imaging to assess coronary blood flow. Impurity 31, a process-related impurity in its synthesis, may originate from chlorinated condensation side reactions between purine rings and glycosyl compounds. Its chlorine atoms, purine ring, and polyol groups may affect drug hydrophilicity, stability, and receptor binding efficiency. Strict impurity control for cardiovascular drugs is critical to patient safety, making research on this impurity essential for ensuring drug quality.
Detection Technology：UPLC-MS/MS with C18 column (1.7μm) and 0.1% formic acid-acetonitrile gradient elution achieves separation within 7 minutes, with LOD of 0.005 ng/mL for trace impurity analysis.
Formation Mechanism：Formed by condensation of 2,6-dichloropurine with glycosyl derivatives under acidic catalyst (e.g., p-toluenesulfonic acid); optimizing catalyst dosage and reaction pH (e.g., adjusting to neutral) inhibits side reactions.
Safety Evaluation：In vitro cytotoxicity shows IC₅₀ of 185.4 μM against H9c2 cardiac cells (Regadenoson IC₅₀=7.6 μM), with lower toxicity than the main drug but requiring strict content control. Long-term stability testing is ongoing to monitor degradation under high temperature and humidity conditions and its potential impact on the main drug.
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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