82944-22-7

Upstream product

• 610-14-0 2-nitrobenzyl chloride 
• 99-98-9 4-amino-N,N-dimethylaniline 
• 118-48-9 isatoic anhydride 

Downstream Products

• 27143-65-3 2-(dimethylamino)acridone 
• 55649-81-5 3-(p-dimethylaminophenyl)-4(3H)-benzotriazinone 
• 133040-91-2 2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(4-dimethylamino-phenyl)-3H-quinazolin-4-one 

Relevant academic research and scientific papers

Identification of potent orally active factor Xa inhibitors based on conjugation strategy and application of predictable fragment recommender system

Anticoagulant agents have emerged as a promising class of therapeutic drugs for the treatment and prevention of arterial and venous thrombosis. We investigated a series of novel orally active factor Xa inhibitors designed using our previously reported conjugation strategy to boost oral anticoagulant effect. Structural optimization of anthranilamide derivative 3 as a lead compound with installation of phenolic hydroxyl group and extensive exploration of the P1 binding element led to the identification of 5-chloro-N-(5-chloro-2-pyridyl)-3-hydroxy-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}benzamide (33, AS1468240) as a potent factor Xa inhibitor with significant oral anticoagulant activity. We also reported a newly developed Free-Wilson-like fragment recommender system based on the integration of R-group decomposition with collaborative filtering for the structural optimization process.

Scaffold identification of a new class of potent and selective BCRP inhibitors

We recently reported the synthesis and quantitative structure-activity relationships of a new breast cancer resistance protein (BCRP) inhibitor class. In the study presented herein, we investigated the possibility to better define the scaffold of this compound class by removing or modifying the aromatic ring A with various substituents selected on the basis of their electronic and lipophilic properties. The results show that this aromatic ring is important, but not essential, for activity. Many of the selected substituents led to compounds with low activity, but in some cases activity was retained. Among these, a phenolic hydroxy group proved to impart as much potency to the molecule as a hydroxyethyl side chain, initially considered necessary for activity. This derivative is one of the most active compounds in this class, maintaining an inhibitory activity similar to that of the reference compound; it is also selective for BCRP.

Urea derivatives and their use as ACAT inhibitors

Urea derivatives of formula (1) STR1 wherein the valuable groups are as defined in the specification, which possess both an ACAT inhibitory activity and an antioxidative activity. Those derivatives are useful in the prophylaxis and treatment of hyperchole