Bosutinib/bosutinib structural formula

Bosutinib/Bosutinib is an important second-generation tyrosine kinase inhibitor (TKI), mainly used to treat Philadelphia chromosome-positive chronic myelogenous leukemia (CML). It is approved for use in patients with chronic, accelerated or blast crisis CML, particularly those who have developed resistance or intolerance to previous treatments. The chemical structure of bosutinib is an important basis for its pharmacological activity and efficacy.

The chemical name of Bosutinib is3-quinolinenitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-piperazinyl)propoxy]-hydrate (1:1). Its structure contains multiple functional groups, giving it specific biological activity. The chemical formula of bosutinib is C26H29Cl2N5O3·H2O, which means that it exists in the form of a monohydrate, with a molecular weight of 548.46 (for the monohydrate), while the molecular weight in the anhydrous state is 530.46.

In its molecular structure, bosutinib contains a core quinoline ring, which not only affects its binding ability to the targetBCR::ABL1 tyrosine kinase, but also affects its drug metabolism and bioavailability. In addition, the molecule of bosutinib contains two chlorine atoms and several methoxy and amino substituents, and the presence of these substituents is critical for its antitumor activity. Through these structural features, bosutinib can bind to BCR::ABL1 tyrosine kinase more effectively, thereby inhibiting the activity of the enzyme and preventing the proliferation of tumor cells.

Bosutinib is available in clinical applications in tablets and capsules, with dosages including100 mg, 400 mg and 500 mg tablets, and 50 mg and 100 mg capsules. Each dose reflects equivalent amounts of bosutinib active ingredient (based on anhydrous form), providing flexibility for different patient needs.

Reference materials:https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=adc84ad5-a04d-4fee-9ba8-91f7abd928e3