What is the chemical structural formula of adagrasib?

Adagrasib is a targeted drug specifically designed to treat non-small cell lung cancer and other solid tumors carrying KRAS G12C mutations. It is similar to sotoraxib and belongs to the same class of KRAS G12C inhibitors, but they are different in chemical structure and pharmacokinetic characteristics. The unique molecular structure of adagrasib gives it a longer half-life in the body, thereby prolonging its effect on cancer cells and helping to improve the therapeutic effect.

From a chemical point of view, adagrasib is a small molecule inhibitor with a molecular formula of C32H35ClFN7O2 and a molecular weight of approximately 604.12 g/mol. Its structure contains polycyclic aromatic hydrocarbons, fluorinated substituents, chlorinated benzene rings, piperazine rings and heterocyclic structures containing multiple nitrogen atoms. Together, these structures endow it with the ability to highly selectively bind to the KRAS G12C mutated protein, allowing it to irreversibly lock the mutation site, thereby inhibiting cancer cell growth signaling.

The chemical structural formula of adagrasib is relatively complex, with a core nitrogen heteroaromatic ring system and multiple bridge bonds connecting different functional groups, including para-fluorophenyl, piperazine groups and a carboxamide side chain. This structural layout allows the drug to be precisely inserted into the active pocket of the KRAS G12C protein and bind to cysteine u200bu200bresidues through covalent bonds, thereby exerting an inhibitory effect. It is this covalent inhibition mechanism that gives adagrasib its potent and durable targeting activity among the KRAS G12C inhibitor family.

In general, the chemical structure of adagrasib is the key basis for its targeting activity and durability of efficacy. Currently, this drug has entered clinical trials or marketing stages in many countries, showing good clinical prospects. Although its structure is relatively complex, for scientific researchers and pharmaceutical companies, its successful development also represents a new breakthrough in the "undruggable" target KRAS, indicating a major progress in precision cancer treatment.

References：https://www.krazati.com/