Product Information

Product Number: B026093

English Name: Baricitinib Impurity 93

English Alias: 2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile

CAS Number: 1187595-85-2

Molecular Formula: C?H??N?O?S

Molecular Weight: 186.23

Advantages

Analyzing the by-product formation mechanism of sulfonylation and cyclization reactions during baricitinib synthesis to optimize processes for controlling sulfur-containing ylidene impurity generation;

Serving as a reference standard containing sulfonyl and nitrile groups to provide a standard substance for detecting polar heterocyclic impurities in drugs, improving the quantitative accuracy of methods such as LC-MS;

Helping study the impact of sulfur substituents and imine structures on drug stability and toxicological properties to provide a scientific basis for impurity control strategies.

Applications

Drug Development: Used as an impurity reference standard to identify and quantify Impurity 93 in baricitinib preparations, evaluating the purity of APIs and formulations;

Quality Control: Acting as a standard substance to validate the sensitivity of detection methods (e.g., HPLC or LC-MS), ensuring the impurity content meets ICH guideline requirements during production;

Toxicological Research: Assisting in evaluating the potential genotoxicity of sulfur-containing ylidene impurities to provide data support for drug safety evaluation.

Background Description

Research Status

Synthesis Methods: Developing high-purity synthesis processes for Impurity 93 to solve the purification challenges of sulfur-containing heterocyclic compounds and meet the needs of toxicological research;

Detection Technologies: Establishing trace detection methods (detection limits reach ppb level) for this impurity using ultra-high-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) technology;

Toxicological Evaluation: Studying the potential mutagenicity of sulfonyl and nitrile structures through in vitro Ames tests and animal models;

Process Control: Analyzing the inducements (such as raw material residues, reaction temperature) of sulfonylation reactions to optimize the synthesis route and reduce the generation of this impurity.