Mirabegron Impurity 42；3032026-54-0
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E-mail: anna@molcoo.com
Product Code：M005042
English Name：Mirabegron Impurity 42
English Alias：(R)-N-(4-aminophenethyl)-N-(2-hydroxy-2-phenylethyl)nitrous amide
CAS No.：3032026-54-0
Molecular Formula：C16H19N3O2
Molecular Weight：285.15
High-Purity Standard：Confirmed by HPLC (≥99.0%) and verified through multiple methods including NMR, HRMS, and elemental analysis, providing an accurate standard for Mirabegron impurity analysis.
Stable and Reliable：Stable for 36 months under -20℃ light-protected and sealed storage. The degradation rate is less than 0.3% within 6 months in methanol - water mixture, ensuring good repeatability and strong stability of experimental data.
Quality Control：Used for UPLC-MS/MS detection of Impurity 42 in Mirabegron API and formulations. Strictly control the impurity content to meet ICH Q3A standards (single impurity limit ≤0.1%) and ensure drug quality and safety.
Process Optimization：Monitor the formation pathway of this impurity during Mirabegron synthesis. By adjusting parameters such as nitrosation reaction temperature (e.g., 25 - 35℃), 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 sensitivity of the detection method.
Mirabegron, a β3 - adrenergic receptor agonist, is mainly used to treat overactive bladder by relaxing the detrusor muscle of the bladder and relieving symptoms such as urinary frequency and urgency. Impurity 42, a process-related impurity in its synthesis, may originate from nitrosation side reactions of raw materials or abnormal condensation of intermediates. Its nitrosamide group, amino group, and hydroxyl group may affect the chemical stability, biological activity, and safety of the drug. Since this drug acts directly on the human urinary system, impurity control is crucial for ensuring patient safety.
Detection Technology：UPLC-MS/MS technology, combined with a C18 column (1.7μm) and gradient elution with 0.1% formic acid - acetonitrile, achieves impurity separation within 7 minutes, with a detection limit as low as 0.003 ng/mL for high-precision trace impurity detection.
Formation Mechanism：Studies show that this impurity is formed by the reaction of (R)-2-hydroxy-2-phenylethylamine and 4-aminophenethylamine with nitrite under acidic conditions (e.g., pH < 4). Optimizing the pH of the reaction system and the dosage of nitrosating agents can effectively inhibit side reactions.
Safety Evaluation：In vitro cytotoxicity experiments show that the IC₅₀ of this impurity against HEK293 cells is 189.2 μM (Mirabegron IC₅₀ = 11.5 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 and potential risks under high temperature, high humidity, and light 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 17320513646
E-mail: anna@molcoo.com
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