Toludesvenlafaxine Impurity；1792228-89-7
Product Information
English Name: Toludesvenlafaxine Impurity 2
English Alias: 4-(1-(cyclohex-1-en-1-yl)-2-(dimethylamino)ethyl)phenyl 4-methylbenzoate
CAS No.: 1792228-89-7
Molecular Formula: C₂₄H₂₉NO₂
Molecular Weight: 363.49
Advantages
High Purity Standard: Confirmed by HPLC with a purity of ≥99.0%, and the structure is verified through multiple methods including NMR (1H, 13C), HRMS, and elemental analysis, providing an accurate standard for Toludesvenlafaxine impurity analysis.
Stable and Reliable: Stable for 36 months under storage conditions of -20℃ in the dark and sealed. The degradation rate is less than 0.3% within 6 months in common solvent systems such as acetonitrile - methanol, ensuring stable experimental data.
Applications
Quality Control: Used for UPLC-MS/MS detection of Impurity 2 in Toludesvenlafaxine API and formulations, ensuring that the impurity content meets ICH Q3A standards (single impurity limit ≤0.1%).
Process Optimization: Monitor the formation pathway of this impurity during the synthesis of Toludesvenlafaxine. By adjusting parameters such as the addition reaction temperature (e.g., 50 - 60℃) and reaction time, the generation of impurities can be reduced by more than 40%.
Method Validation: As a reference standard for developing and validating impurity detection methods, it is used to verify the resolution (≥3.0) and limit of detection (0.01 ng/mL) of UPLC.
Background Description
Toludesvenlafaxine is a drug for treating depression, which improves symptoms by regulating neurotransmitters. Impurity 2, as a process-related impurity in the synthesis, may originate from the side products of the reaction between cyclohexene intermediates and benzoyl chloride. The cyclohexenyl, dimethylamino, and benzoate groups in its structure may affect the drug's stability, activity, and safety. With the increasing requirements for the quality of psychiatric drugs, the study of Impurity 2 is crucial for ensuring drug quality.
Research Status
Detection Technology: UPLC-MS/MS technology is used, combined with a C18 column (1.7μm) and gradient elution with 0.1% formic acid - acetonitrile. Impurities can be separated within 8 minutes, and the limit of detection reaches 0.005 ng/mL.
Formation Mechanism: Studies have shown that this impurity is formed by the reaction of cyclohexene-structured intermediates with 4-methylbenzoyl chloride under alkaline conditions (such as using pyridine as a catalyst). Optimizing the amount of catalyst and the polarity of the reaction solvent can inhibit side reactions.
Safety Evaluation: In vitro cytotoxicity experiments show that the IC₅₀ of this impurity against SH-SY5Y nerve cells is 198.7 μM (Toludesvenlafaxine IC₅₀ = 10.2 μM). Although the toxicity is lower than that of the main drug, its content still needs to be strictly controlled.
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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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