Vismodegib Impurity 4 NEW

Vismodegib Impurity 4；1370525-64-6

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E-mail: anna@molcoo.com.

• Product Information

• Product Number: V043004

• English Name: Vismodegib Impurity 4

• English Alias: 2-chloro-N-(4-chloro-3-(5-hydroxypyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide

• CAS Number: 1370525-64-6

• Molecular Formula: C₁₉H₁₄Cl₂N₂O₄S

• Molecular Weight: 437.30

• Advantages

• As a pyridine ring hydroxylated impurity of Vismodegib, this compound has the following advantages:
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• Well-defined and highly characteristic structure: The unique structure with a hydroxyl group introduced at the 5-position of the pyridine ring is significantly different from the parent Vismodegib, containing functional groups such as chlorine atoms, hydroxyl groups, methylsulfonyl groups, and pyridine rings. It can be accurately identified by chromatographic and mass spectrometric techniques, providing a specific marker for impurity detection;

• High stability and traceability: The hydroxylated pyridine ring structure is stable under conventional storage conditions and directly related to the metabolic pathway of Vismodegib. It can specifically reflect the degradation trend of the drug under enzyme catalysis or oxidation conditions, improving the accuracy of impurity source analysis;

• Outstanding value as a detection standard: As a key impurity in the synthesis or metabolism of Vismodegib, its structural characteristics provide a standard for establishing exclusive detection methods, enabling effective differentiation between the parent drug and other hydroxylated by-products and improving quantitative precision.

• Applications

• Pharmaceutical quality control: Used as an impurity reference standard to identify and quantify Impurity 4 in Vismodegib APIs and formulations, ensuring product purity meets pharmacopoeia and regulatory requirements;

• Stability studies: Monitoring the generation of this impurity under light, high temperature, and oxidation conditions to evaluate the storage stability of Vismodegib formulations and support the development of appropriate packaging and storage conditions;

• Metabolic mechanism research: As a potential product of Vismodegib's in vivo pyridine ring hydroxylation metabolism, it is used to explore the drug's metabolic pathway in the liver and analyze the impact of hydroxylation on drug activity and toxicity.

• Background Description

• Vismodegib is a Hedgehog signaling pathway inhibitor used in the treatment of tumors such as basal cell carcinoma. During its synthesis, if pyridine ring substitution reactions are not properly controlled, or if it undergoes pyridine ring hydroxylation catalyzed by cytochrome P450 enzymes in vivo, impurities like 2-chloro-N-(4-chloro-3-(5-hydroxypyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide may be generated. The presence of such impurities may affect drug bioavailability or potential toxicity, making research on them a key part of Vismodegib quality control.

• Research Status

• Current research focuses on:
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• Detection method optimization: Using UPLC-MS/MS technology to optimize separation conditions based on the polarity difference of pyridine ring hydroxyl groups, achieving trace detection of this impurity (detection limit up to ppb level);

• Synthesis process improvement: Reducing the generation of hydroxylated by-products by optimizing the feeding ratio and reaction temperature of pyridine ring derivatives;

• Toxicological evaluation: Comparing the inhibitory activity of this impurity and Vismodegib on the Hedgehog signaling pathway through in vitro cell experiments to assess its potential pharmacological interference or toxic effects;

• Metabolic pathway analysis: Elucidating the in vivo generation rate and clearance pathway of this impurity through liver microsome experiments to provide a basis for drug safety evaluation

This product is intended for laboratory use only!

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