Vismodegib Impurity 7 NEW

Vismodegib Impurity 7；879088-41-2

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E-mail: anna@molcoo.com.

• Product Information

• Product Number: V043007

• English Name: Vismodegib Impurity 7

• English Alias: 4-chloro-3-(pyridin-2-yl)aniline

• CAS Number: 879088-41-2

• Molecular Formula: C₁₁H₉ClN₂

• Molecular Weight: 204.66

• Advantages

• As an aniline-based impurity of Vismodegib, this compound has the following advantages:
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• Well-defined and highly characteristic structure: An aromatic structure containing chlorine atom, anilino group, and pyridine ring, which is significantly different from the benzamide structure of Vismodegib. It can be accurately identified by techniques like HPLC and GC-MS, providing a specific marker for impurity detection;

• High stability and traceability: The aromatic amine structure is stable under neutral and weakly acidic conditions. As a potential raw material impurity in the amidation step of Vismodegib synthesis (anilino group may not fully participate in amide bond formation), it can directly reflect incomplete reaction between amino group and acyl chloride, improving the accuracy of process tracing;

• High detection sensitivity: The amino group of the anilino group is conjugated with the aromatic ring, showing characteristic absorption in the UV region (around 280nm). Trace analysis can be achieved via HPLC-UV, reducing detection costs and enhancing method applicability.

• Applications

• Pharmaceutical quality control: Used as an impurity reference standard to identify and quantify Impurity 7 in Vismodegib APIs, ensuring residual aniline raw material in amidation meets quality standards;

• Synthesis process optimization: Reducing raw material residues and improving main product yield by monitoring the impurity content and optimizing amidation catalysts (e.g., pyridine) and reaction time;

• Purity evaluation: Used to assess the purity of Vismodegib APIs, assisting in judging whether amino conversion rate in the synthesis process meets standards.

• Background Description

• Vismodegib is a Hedgehog signaling pathway inhibitor used in the treatment of tumors such as basal cell carcinoma. In its synthesis, 4-chloro-3-(pyridin-2-yl)aniline is one of the key raw materials involved in the amidation reaction. Incomplete reaction between acyl chloride and aniline or inadequate raw material purification can lead to residual aniline-based impurities. Such aromatic amine impurities may have potential toxicity (e.g., carcinogenicity), making their control a key part of ensuring Vismodegib safety.

• Research Status

• Current research focuses on:
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• Detection method optimization: Using HPLC-MS/MS technology, optimizing mass spectrometry parameters based on the protonation characteristics of anilino groups to achieve trace detection of this impurity (detection limits up to ppb level);

• Amidation process improvement: Enhancing amino conversion rate by adjusting reaction solvents (e.g., dichloroethane) and raw material molar ratios (excess acyl chloride) to reduce impurity formation;

• Toxicological evaluation: Assessing the potential genotoxicity of this aniline compound through in vitro chromosome aberration tests to support rational impurity limit setting;

• Raw material purification techniques: Developing improved purification methods (e.g., recrystallization) for the aniline raw material to reduce impurity levels before synthesi

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