Brexpiprazole Impurity K
Product Code：B007032
English Name：Brexpiprazole Impurity K
English Alias：7-(4-((7-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2-yl)oxy)butoxy)quinolin-2(1H)-one
CAS No.：2116542-21-1
Molecular Formula：C38H40N4O4S
Molecular Weight：648.81
Ultra-High Purity：Confirmed by HPLC (≥99.5%), along with NMR (1H, 13C), HRMS, and X-ray single-crystal diffraction, ensuring accuracy and reliability in impurity analysis.
Excellent Stability：Stable for 36 months at -20℃ under light-protected, sealed storage; degradation rate <0.1% in acetonitrile - water solution within 6 months, providing outstanding reproducibility of experimental data.
Quality Control Testing：Used for UPLC-MS/MS detection of Impurity K in Brexpiprazole API and formulations, strictly controlling impurity content to meet ICH Q3A and Q3B standards (single impurity limit ≤0.1%).
Process Optimization Research：Monitor the formation pathway of Impurity K during Brexpiprazole synthesis. Reduce impurity generation by over 60% by adjusting the condensation reaction temperature (e.g., 60 - 70℃), reaction time, and catalyst dosage.
Method Validation：Serves as a standard for developing impurity detection methods, verifying UPLC resolution (≥3.5) and LOD (0.003 ng/mL) to ensure compliance with regulatory requirements.
Brexpiprazole is an atypical antipsychotic drug used for treating schizophrenia and depression. Impurity K, as a specific process-related impurity, may arise from incomplete intermediate reactions, side reactions, or raw material residues during multi-step synthesis. Its complex quinoline and benzo[b]thiophene structure may affect the drug's stability, safety, and efficacy. With increasingly strict regulations on drug impurities by international regulatory agencies such as FDA and EMA, the study of Brexpiprazole Impurity K is crucial for ensuring drug quality and patient safety.
Detection Technology：UPLC-MS/MS with a C18 column (1.7μm) and 0.1% formic acid - acetonitrile gradient elution achieves separation within 5 minutes, with an LOD as low as 0.001 ng/mL, enabling highly sensitive detection of trace impurities.
Formation Mechanism：Studies indicate that Impurity K mainly forms during piperazine ring attachment and quinoline ring etherification steps. Optimizing the reaction solvent system (e.g., using DMF instead of methanol) and controlling raw material ratios can effectively suppress its formation.
Safety Evaluation：In vitro cytotoxicity tests show that the IC₅₀ of Impurity K against SH-SY5Y nerve cells is 156.8 μM (Brexpiprazole IC₅₀ = 8.7 μM). Although less toxic than the main drug, its content in drugs still requires strict control. Long-term stability testing is currently underway to systematically monitor its degradation behavior under different humidity, light, and temperature conditions.
This product is intended for laboratory use only!
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