Deucravacitinib Impurity ; 1609394-08-2
Product Code：D084002
English Name：Deucravacitinib Impurity 2
English Alias：3-(2-methoxy-3-nitrophenyl)-1-methyl-1H-1,2,4-triazole
CAS No.：1609394-08-2
Molecular Formula：C₁₀H₁₀N₄O₃
Molecular Weight：234.21
High-Purity Reference Standard：Confirmed by HPLC (≥99.0%), NMR (1H, 13C), HRMS, and elemental analysis, suitable for Deucravacitinib 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 solution within 6 months.
Quality Control Testing：Used for UPLC-MS/MS detection of Impurity 2 in Deucravacitinib API and formulations, controlling content to meet ICH Q3A standards (single impurity limit ≤0.1%).
Process Optimization Research：Monitors Impurity 2 formation during Deucravacitinib synthesis, reducing generation by >40% 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).
Deucravacitinib, a novel tyrosine kinase 2 (TYK2) inhibitor, is used for treating autoimmune diseases such as psoriasis. Impurity 2, as a process-related impurity of Deucravacitinib, may originate from side products of substitution reactions between triazole rings and nitrobenzene during synthesis. Its nitro and triazole groups may affect drug stability, safety, and efficacy. With stricter requirements from global regulatory agencies for impurities in innovative drugs, studying Impurity 2 is crucial for ensuring Deucravacitinib's quality.
Detection Technology：UPLC-MS/MS with C18 column (1.7μm) and 0.1% formic acid-acetonitrile gradient elution achieves separation within 5 minutes, with LOD of 0.005 ng/mL for trace impurity analysis.
Formation Mechanism：Formed by nucleophilic substitution of 1-methyl-1H-1,2,4-triazole with 2-methoxy-3-nitrochlorobenzene under alkaline conditions (e.g., potassium carbonate/DMF system); optimizing catalyst dosage and reaction solvent polarity inhibits side reactions.
Safety Evaluation：In vitro cytotoxicity shows IC₅₀ of 185.6 μM against HaCaT cells (Deucravacitinib IC₅₀=12.3 μM), with lower toxicity than the main drug but requiring strict content control. Long-term stability testing is ongoing to monitor degradation under different humidity, light, and temperature conditions.
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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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