Ivabradine Impurity 52 NEW

Ivabradine Impurity;2270189-58-5

WhatsAPP: +86 17386083646
E-mail: anna@molcoo.com

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• Product Information

• Product Number: I002052

• English Name: Ivabradine Impurity 52

• English Alias: (S)-3,4-dimethoxy-N,N-dimethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

• CAS Number: 2270189-58-5

• Molecular Formula: C₁₃H₁₇NO₃

• Molecular Weight: 235.28

• Advantages

• As an impurity of Ivabradine, this compound has the following advantages:
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• Well-defined and distinct structure: Containing a bicyclo[4.2.0]octatriene skeleton, dimethoxy groups, and dimethylcarboxamide, it is significantly different from the quinolinone structure of Ivabradine. It can be accurately identified by techniques such as HPLC and LC-MS, providing a specific marker for impurity detection;

• High stability and traceability: Aromatic rings and ether bonds are stable under neutral conditions. As a product of incomplete cyclization of bicyclic alkenes in Ivabradine synthesis, it directly reflects cyclization efficiency, improving process tracing accuracy;

• High detection sensitivity: The conjugated system of carboxamide and aromatic rings has strong UV absorption (around 254nm), enabling trace analysis via HPLC-UV, reducing detection costs and enhancing method applicability.

• Applications

• Pharmaceutical quality control: Used as an impurity reference standard to identify and quantify Ivabradine Impurity 52 in Ivabradine APIs and formulations, ensuring residual by-products from bicyclic synthesis meet quality standards;

• Synthesis process optimization: Reducing alkene by-products by monitoring impurity content and optimizing cyclization catalysts (e.g., Lewis acids) and temperatures to enhance bicyclic framework formation;

• Structural integrity assessment: Assisting in evaluating the completeness of Ivabradine's bicyclic structure, providing data support for process stability in key cyclization steps.

• Background Description

• Ivabradine is a sinoatrial node If current inhibitor used in treating chronic heart failure and stable angina, with a structure containing a quinolinone core. Incomplete cyclization of bicyclic alkenes or abnormal ring closure during synthesis may generate bicyclic alkene impurities like (S)-3,4-dimethoxy-N,N-dimethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide. Such impurities may affect drug purity and biological activity, making their control a key part of Ivabradine quality assurance.

• Research Status

• Current research focuses on:
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• Detection method optimization: Using UPLC-MS/MS with optimized separation based on carboxamide polarity to achieve trace detection (detection limits up to ppb level);

• Cyclization pathway analysis: Employing DFT calculations to simulate bicyclic alkene cyclization mechanisms, clarifying impurity formation thermodynamics for rational process design;

• Pharmacological evaluation: Comparing If current inhibition between this impurity and Ivabradine via in vitro sinoatrial node cell assays to assess potential efficacy impacts;

• Selective synthesis: Developing chiral auxiliaries to enhance enantioselective cyclization, reducing formation of this (S)-configured impurity in Ivabradine production.

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