Palbociclib Impurity 107;2252258-81-2
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E-mail: anna@molcoo.com
Product Code：P005107
English Name：Palbociclib Impurity 107
English Alias：tert-butyl 4-(5-nitropyridin-3-yl)piperazine-1-carboxylate
CAS No.：2252258-81-2
Molecular Formula：C₁₄H₂₀N₄O₄
Molecular Weight：308.33
High-Purity Guarantee：Confirmed by HPLC (≥99.0%) and verified through multiple methods including NMR (1H, 13C), HRMS, and elemental analysis, providing an accurate and reliable standard for Palbociclib impurity analysis.
Good Stability：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 stable experimental data and meeting long-term research and quality control requirements.
Quality Control Testing：Used for UPLC-MS/MS detection of Impurity 107 in Palbociclib 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 Research：Monitor the formation pathway of this impurity during Palbociclib synthesis. By adjusting parameters such as nitro substitution temperature (e.g., 10 - 20℃), reaction time, and reactant ratio, the generation of impurities can be reduced by more than 35%.
Method Validation：As a standard for developing and validating 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.
Palbociclib, a cyclin-dependent kinase 4/6 (CDK4/6) inhibitor, is widely used in the treatment of HR+/HER2- advanced breast cancer, exerting anti-cancer effects by inhibiting the cell cycle. Impurity 107, a process-related impurity in its synthesis, may originate from the substitution reaction of piperazine rings with nitropyridine or side reactions during Boc protection. Its nitro group, piperazine ring, and tert-butoxycarbonyl may affect the drug's metabolic stability, biological activity, and safety. Given the strict requirements for impurity control of anticancer drugs, research on this impurity is crucial for ensuring drug quality.
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：Formed by the nucleophilic substitution reaction of 3 - chloro - 5 - nitropyridine with tert-butyl piperazine-1-carboxylate under alkaline catalyst (such as sodium carbonate). Optimizing the dosage of catalyst, reaction pH value and reaction time can effectively inhibit side reactions.
Safety Evaluation：In vitro cytotoxicity experiments show that the IC₅₀ of this impurity against MCF - 7 breast cancer cells is 202.5 μM (Palbociclib IC₅₀ = 10.2 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 17386083646
E-mail: anna@molcoo.com
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