A simple, novel, efficient and three-component procedure for the synthesis of pyrimido[4,5-d]pyrimidine-2,4-dione derivatives by the reaction of 6-amino-1,3-dimethyluracil, aldehyde and 2-benzylisothiourea hydrochloride promoted by ionic liquid 1-butyl-3-methylimidazolium bromide ([BMIm]Br) under solvent-free conditions is reported. The presented method is benefited from operational simplicity...

There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(26)H(17)FN(4)O(3), which differ in the dihedral angles between the aromatic rings (fluorophenyl, phenyl) and the pyrrolopyrimidine rings [0.6 (3)/76.3° and 73.7 (3)/64.6°, respectively]. The crystal structure is mainly stabilized by C-H⋯O and C-H⋯F inter-actions.

Thieno[3,2-d]pyrimidine as an effective pharmacophore has been extensively studied. However, its 2,6-substituted derivatives are rarely reported. In the present study, eighteen 2,6-substituted thieno[3,2-d]pyrimidine derivatives containing electrophilic warheads were designed based on the first known Fibroblast growth factor receptor-4 (FGFR4) inhibitor Blu9931. Unexpectedly, all of the derivat...

The design, synthesis, and evaluation of novel thieno[2,3-d]pyrimidin-4-yl hydrazone analogues as cyclin-dependent kinase 4 (CDK4) inhibitors are described. In continuing our program aim to search for potent CDK4 inhibitors, the introduction of a thiazole group at the hydrazone part has led to marked enhancement of chemical stability. Furthermore, by focusing on the optimization at the C-4' pos...

Abstract The inside of a cell is highly crowded with proteins and other biomolecules. How express their specific functions together many off-target in cellular environments largely unknown. Here, we investigate an inhibitor binding c-Src kinase using atomistic molecular dynamics (MD) simulations dilute as well protein solution. populations the inhibitor, 4-amino-5-(4-methylphenyl)?7-( t -butyl)...

A series of diarylureas and diarylamides possessing pyrrolo[2,3-d]pyrimidine scaffold was designed and synthesized. The in vitro antiproliferative activities of a selected group of the target compounds against NCI-60 cell line panel were tested and compared with Sorafenib and Imatinib as reference compounds. Most of the compounds showed strong and broad-spectrum antiproliferative activities. Co...

The asymmetric unit of the title compound, C(6)H(9)ClN(4), contains four independent mol-ecules (A, B, C and D). Their main difference is the torsion angles, ranging from 1.6 (5) to 5.9 (5)°, between the methyl group and the pyrimidine plane. A pair of inter-molecular N-H⋯N hydrogen bonds link mol-ecules A and C into a twisted dimer with a dihedral angle of 32.9 (1)° between the two pyrimidine ...

A new xanthine oxidase inhibitor named hydroxyakalone was isolated from the culture broth of a marine bacterium Agrobacterium aurantiacum N-81106. Structure of hydroxyakalone was determined to be 4-amino-1H-pyrazolo[3,4-d]pyrimidine-3-one-6-ol by the spectral studies of hydroxyakalone and its permethyl derivative. The concentration to induce 50% inhibition (IC50) was 4.6 microM against xanthine...