75129-07-6

Upstream product

• 100-52-7 benzaldehyde 
• 17356-08-0 thiourea 
• 109-77-3 malononitrile 
• 2700-22-3 Benzylidenemalononitrile 

Downstream Products

• 1096712-84-3 5-phenyl-1H,8H-pyrimido[4,5-d]pyrimidine-2,4,7-trithione 
• 1096712-88-7 5-phenyl-7-thioxo-7,8-dihydro-3H-pyrimido[4,5-d]pyrimidin-4-one 
• 1096713-00-6 C₁₅H₁₄N₄O₂S 
• 89445-60-3 4-amino-5-cyano-2-hydrazino-6-phenylpyrimidine 
• 89445-58-9 4-amino-6-phenyl-2-(methylthio)pyrimidine-5-carbonitrile 

Relevant academic research and scientific papers

Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A2AReceptor

In this study, we determined the crystal structure of an engineered human adenosine A2A receptor bound to a partial agonist and compared it to structures cocrystallized with either a full agonist or an antagonist/inverse agonist. The interaction between the partial agonist, belonging to a class of dicyanopyridines, and amino acids in the ligand binding pocket inspired us to develop a small library of derivatives and assess their affinity in radioligand binding studies and potency and intrinsic activity in a functional, label-free, intact cell assay. It appeared that some of the derivatives retained the partial agonist profile, whereas other ligands turned into inverse agonists. We rationalized this remarkable behavior with additional computational docking studies.

One pot synthesis of pyrimidine-5-carbonitrile and pyrimidine-5-carboxamide using ammonium chloride under solvent free condition

Abstract: Pyrimidine-5-carbonitrile and pyrimidine-5-carboxamide were synthesized from the various substituted benzaldehyde, malononitrile and cyanoacetamide, urea/thiourea in the presence of ammonium chloride followed by characterization using IR, 1

Tacripyrimidines, the first tacrine-dihydropyrimidine hybrids, as multi-target-directed ligands for Alzheimer's disease

Notwithstanding the combination of cholinesterase (ChE) inhibition and calcium channel blockade within a multitarget therapeutic approach is envisaged as potentially beneficial to confront Alzheimer's disease (AD), this strategy has been scarcely investigated. To explore this promising line, a series of 5-amino-4-aryl-3,4,6,7,8,9-hexahydropyrimido [4,5-b]quinoline-2(1H)-thiones (tacripyrimidines) (4a-l) were designed by juxtaposition of tacrine, a ChE inhibitor (ChEI), and 3,4-dihydropyrimidin-2(1H)-thiones, as efficient calcium channel blockers (CCBs). In agreement with their design, all tacripyrimidines, except the unsubstituted parent compound and its p-methoxy derivative, acted as moderate to potent CCBs with activities generally similar or higher than the reference CCB drug nimodipine and were modest-to-good ChEIs. Most interestingly, the 3′-methoxy derivative (4e) emerged as the first well balanced ChEI/CCB agent, acting as low micromolar hChEI (3.05 μM and 3.19 μM on hAChE and hBuChE, respectively) and moderate CCB (30.4% at 1 μM) with no significant hepatotoxicity toward HepG2 cells and good predicted oral absorption and blood brain barrier permeability.

Synthesis of pyrimidine derivatives from three-component reaction of malononitrile, aldehydes and thiourea/urea in the presence of high surface area and nanosized MgO as a highly effective heterogeneous base catalyst

The three-component reaction of malononitrile, aldehydes and thiourea/urea, is applied to the formation of pyrimidine derivatives. The reaction occurs at best in EtOH at reflux, in the presence of high surface area and nanosized MgO. This methodology is m

Synthesis of some new pyrimidine and pyrimido[4,5-d]pyrimidine derivatives

A convenient synthesis of a series of pyrimidine carbonitrile, thiopyrimidine, and pyrimidopyrimidine derivatives, via the reactions of the versatile, readily accessible 6-aryl-4-oxo-2-thioxo-hexahydro-pyrimidine-5- carbonitrile with the appropriate reagents, is described. Copyright Taylor & Francis Group, LLC.

A One Step Synthesis of New 4-Aminopyrimidine Derivatives: Preparation of Tetrazolo- and s-Triazolopyrimidines

2-Mercapto-4-amino-5-cyano-6-arylpyrimidines (1a, b), 2-hydroxy derivatives 1c, d and 2-methylmercapto derivatives 4a, b were synthesised via the reaction of either a mixture of malononitrile and aromatic aldehyde or arylidene malononitrile with thiourea,