What is the structural formula of pirtobrutinib?

Pirtobrutinib is a new Bruton's tyrosine kinase (BTK) inhibitor mainly used to treat certain types of hematological malignancies. As a BTK inhibitor, pitobrutinib has a unique molecular structure designed to bind BTK efficiently and selectively, thereby blocking relevant signaling pathways and exerting anti-cancer effects.

From a chemical structure point of view, pitobrutinib is a small molecule inhibitor. It contains multiple aromatic ring structures and heterocyclic rings. These structures help the drug bind tightly to the active site of the enzyme. Specifically, the molecular formula of pitobrutinib is C31H33N5O3 and its molecular weight is approximately 535.63 g/mol. Its structure contains a pyridine ring, multiple benzene rings and other nitrogen-containing heterocycles, which together constitute its active core.

The structural characteristics of the drug enable it to non-covalently and reversibly inhibit BTK activity, which is different from traditional covalent BTK inhibitors and gives pitobrutinib better selectivity and resistance overcoming capabilities. The non-covalent binding method reduces the dependence on mutant BTK, making pitobrutinib more effective in treating patients who are resistant to other BTK inhibitors.

Overall, the chemical structure of pitobrutinib reflects the complexity and precision of modern targeted drug design. Its molecular design not only ensures high affinity and selectivity for BTK, but also improves the safety and efficacy of the drug through special structural optimization. It is one of the important innovations in the field of BTK inhibitors.

Reference materials:https://go.drugbank.com/drugs/DB17472