(701g) A Fit for Purpose Kinetic Model to Understand the Knowledge Space of a Complex Telescopic Reaction Scheme

The application of kinetic models during chemical development of active pharmaceutical ingredients (API) is vast. However, developing kinetic models, especially for complex synthesis is difficult during early phase pharmaceutical development due to scarcity in data and information. Moreover, precise estimation of kinetic parameters is quite challenging with limited data and resources available. Sen et al. [1] demonstrate that precise parameter estimates are not necessary to develop “fit for purpose” kinetic models that can still guide API process development.

This work will present the development and application of a fit for purpose model to analyze the reaction kinetics of a heavily telescoped complex reaction scheme. The reaction scheme consists of three sub-steps involving several chemical species. A kinetic model structure was established from the proposed chemistry mechanism and information available from similar systems in past. Only certain chemical species of interest were profiled depending on resource availability. Satisfactory estimates of the kinetic parameters were obtained based on the measured responses. This fit for purpose model was used to understand the formation of chemical species of interest as a function of reaction conditions and ultimately to identify a process operating design space at the manufacturing scale.

Reference:

1. Sen et al., React. Chem. Eng., 2021, 6, 2092-2103