Yang, Minjian published the artcileDesign, synthesis, and biological evaluation of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors, Safety of 3-Phenoxyazetidine hydrochloride, the main research area is pyrrolopyrimidine preparation Brutons tyrosine kinase mol docking antitumor activity; B-Cell lymphomas; BTK inhibitor; Kinase selectivity.
Here, four key regions where inhibitors bind to BTK were identified by analyzing the existing crystal structures of BTK complexes. Then, a scaffold-based mol. design work flow was established by integrating fragment-growing method, deep learning-based framework XGraphBoost and mol. docking, leading to four compounds that showed potency against BTK. Optimization of compounds I and II led to the discovery of the potent BTK inhibitor compound III by using in vitro potency and pharmacokinetic (PK) studies to prioritize the compounds Compound III exhibited great BTK inhibition activity (IC50 = 0.7 nM) along with high oral absorption. Moreover, compound III demonstrated excellent kinase selectivity, especially over EGFR kinase, and low toxicity. In a TMD8 xenograft model, compound III significantly inhibited tumor growth (TGI = 104%) at a dosage of 50 mg/kg, indicating its potential as a novel therapeutic option for B-cell lymphomas.
European Journal of Medicinal Chemistry published new progress about Anilines Role: RCT (Reactant), RACT (Reactant or Reagent). 301335-39-7 belongs to class ethers-buliding-blocks, name is 3-Phenoxyazetidine hydrochloride, and the molecular formula is C9H12ClNO, Safety of 3-Phenoxyazetidine hydrochloride.
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem