Co-crystallization techniques have been used extensively in the pharmaceutical industry for improving physiochemical properties of pharmaceutical active ingredients(API). Such multi-component solids have been explored for improved solubility, stability, and bioavailability of API’s in a range of solid formulations.<br/>Currently, more than 3000 known APIs contain halogen atoms and even more have chalcogen atoms which can potentially act as halogen or chalcogen-bond donors, respectively. Combined with hydrogen-bond synthons, co-crystal synthesis offers a versatile platform for developing novel solid-state pharmaceutics.<br/>1,3,4-Thiadiazol moieties have been shown to have anti-inflammatory and anticancer properties and it contains chalcogen-bond donor sites and hydrogen-bond acceptor sites, which indicates that they can potentially be used as a versatile synthon for co-crystallization with various coformers. The possibility of adding more functional groups such as amines and halogen-substituted aromatic groups makes this class of compounds interesting synthetic drivers. In this project, several targets based on the 1,3,4-chalcogenadiazole moiety were used to form co-crystals with different aliphatic and aromatic carboxylic acids. Based on the preliminary structural studies it was clear that these targets can also potentially form co-crystals with APIs which contain carboxylic acid synthons. Finally, cavitands functionalized with the same 1,3,4-chalcogenadiazole synthon were then examined as carriers for APIs to develop a model drug delivery system.

Exploring 1,3,4-chalcogenadiazoles as versatile synthons for pharmaceutical co-crystallization

ACS Spring Meeting 2021

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