Palbociclib Impurity;1779124-68-3
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E-mail: anna@molcoo.com
Product Code：P005105
English Name：Palbociclib Impurity 105
English Alias：tert-butyl 4-(2-nitropyridin-3-yl)piperazine-1-carboxylate
CAS No.：1779124-68-3
Molecular Formula：C₁₄H₂₀N₄O₄
Molecular Weight：308.33
High-Purity Reference Standard：Confirmed by HPLC (≥99.0%), NMR (1H, 13C), HRMS, and elemental analysis, suitable for Palbociclib impurity analysis and quality control.
Stability Assurance：Stable for 36 months at -20℃ under light-protected, sealed storage; degradation rate <0.3% in methanol-acetonitrile mixture within 6 months.
Quality Control Testing：Used for UPLC-MS/MS detection of Impurity 105 in Palbociclib API and formulations, controlling content to meet ICH Q3A standards (single impurity limit ≤0.1%).
Process Optimization Research：Monitors impurity formation during Palbociclib synthesis, reducing generation by >30% by adjusting nitration temperature (e.g., 0-5℃) 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).
Palbociclib, a CDK4/6 inhibitor, regulates the cell cycle to inhibit tumor growth and is clinically used for combined therapy of HR+/HER2- advanced breast cancer. Impurity 105, a nitro-containing impurity in its synthesis, may originate from pyridine ring nitration by-products or incomplete piperazine group protection. Its nitro, tert-butoxycarbonyl, and piperazine ring may affect drug synthesis efficiency, in vivo metabolism, and safety. Strict impurity control for anticancer drugs is critical to treatment efficacy and patient safety, making research on this impurity essential for drug quality control.
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 high-precision trace impurity analysis.
Formation Mechanism：Formed by nitration of tert-butyl 4-(3-pyridyl)piperazine-1-carboxylate in nitric acid-sulfuric acid systems; optimizing nitrating agent ratio and reaction pH inhibits side reactions.
Safety Evaluation：In vitro cytotoxicity shows IC₅₀ of 198.4 μM against MCF-7 cells (Palbociclib IC₅₀=7.6 μM), with lower toxicity than the main drug but requiring strict content control. Long-term stability testing is ongoing to monitor nitro reduction degradation under high temperature and humidity 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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