Investigation of Synthetic Compounds in Drug Discovery by Nexera-i and LCMS-2020

Operational efficiency is an important issue to researchers involved in the organic synthesis stage of drug discovery typically conducted at pharmaceutical companies and universities.
Specifically, large numbers of drug candidates are synthesized daily in the drug discovery chemistry operations conducted throughout the pharmaceutical industry, and the synthesis and purity confirmation of these substances are primarily conducted by LC/MS. Typically, the LC/MS is treated as a shared instrument in an open-access environment, so rather than optimizing the analytical conditions for the various individual compounds, each type of compound is analyzed using a fixed set of analytical conditions. Further, the analyst conducting an analysis is often unaware of the type of compound that was analyzed by the previous analyst who used that instrument.
Reliable analysis in such an environment fundamentally requires an LC system that ensures low carryover performance. The new Nexera-i integrated Ultra High Performance Liquid Chromatograph effectively suppresses carryover using specially treated liquid-contact surfaces, such as the needle seal and sampling needle, thereby providing excellent quantitative performance with high accuracy in a wide variety of analyses. Furthermore, the Nexera-i can be connected with the high-scan-speed LCMS-2020. The built-in UV / VIS detector or PDA detector along with connection to an LCMS permit very detailed qualitative and quantitative analysis.
Here, we introduce an example of analysis of eight pharmaceutical substances in a workflow that is typically used for pharmaceutical synthesis confirmation analysis.

Table 1  Analytical Conditions

Direct Access for Each Sample Rack

Direct Access for Each Sample Rack

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Nexera-i

Nexera-i

Features: 

Shimadzu's integrated LC system has been reborn as i-Series Plus. Equipped with ACTO technology for even smoother migration of existing analytical methods, the Nexera-i MT method transfer system allows for easy method transfer between HPLC and UHPLC.

 

LCMS-2020

LCMS-2020

Features: 

By incorporating the following innovative features into the LCMS-2020, the sharp peaks of ultra high-speed LC won't be missed:

・UFswitching (high-speed positive/negative ionization mode switching)
・UFscanning (high-speed scan measurements)
・UFsensitivity (superior sensitivity and repeatability thanks to newly developed ion optics)