5515-36-6

Upstream product

• 98-88-4 benzoyl chloride 
• 109-77-3 malononitrile 
• 42754-56-3 2-(methoxyphenylmethylene)malononitrile 
• 65-85-0 benzoic acid 

Downstream Products

• 18270-61-6 2-cyano-3-chlorocinnamonitrile 
• 42754-56-3 2-(methoxyphenylmethylene)malononitrile 
• 3336-65-0 (α-Aminobenzyliden)propandinitril 
• 42754-69-8 4-Amino-3-phenylpyrazolo<3,4-d>pyrimidine 
• 42754-61-0 5-amino-3-phenyl-1H-pyrazole-4-carbonitrile 
• 1286278-41-8 5-amino-1-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-4-carbonitrile 
• 1286278-66-7 ethyl 2-(4-((4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)acetate 
• 1286278-63-4 2-(4-((4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-N-(4-chlorophenyl)acetamide 
• 1286278-62-3 2-(4-((4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-N-(4-fluorophenyl)acetamide 
• 1286278-61-2 2-(4-((4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-N-phenylacetamide 
• 1286278-60-1 2-(4-((4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-(thiophen-2-yl)ethanone 
• 1286278-59-8 2-(4-((4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-p-tolylethanone 
• 1286278-58-7 2-(4-((4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylethanone 
• 1286278-57-6 2-(4-((4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-(4-chlorophenyl)ethanone 

Relevant academic research and scientific papers

Comprehensive Study of the Organic-Solvent-Free CDI-Mediated Acylation of Various Nucleophiles by Mechanochemistry

Acylation reactions are ubiquitous in the synthesis of natural products and biologically active compounds. Unfortunately, these reactions often require the use of large quantities of volatile and/or toxic solvents, either for the reaction, purification or isolation of the products. Herein we describe and discuss the possibility of completely eliminating the use of organic solvents for the synthesis, purification and isolation of products resulting from the acylation of amines and other nucleophiles. Thus, utilisation of N,N′-carbonyldiimidazole (CDI) allows efficient coupling between carboxylic acids and various nucleophiles under solvent-free mechanical agitation, and water-assisted grinding enables both the purification and isolation of pure products. Critical parameters such as the physical state and water solubility of the products, milling material, type of agitation (vibratory or planetary) as well as contamination from wear are analysed and discussed. In addition, original organic-solvent-free conditions are proposed to overcome the limitations of this approach. The calculations of various green metrics are included, highlighting the particularly low environmental impact of this strategy.

Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors

Fyn is a member of the Src-family of nonreceptor protein-tyrosine kinases. Its abnormal activity has been shown to be related to various human cancers as well as to severe pathologies, such as Alzheimer's and Parkinson's diseases. Herein, a structure-based drug design protocol was employed aimed at identifying novel Fyn inhibitors. Two hits from commercial sources (1, 2) were found active against Fyn with Ki of about 2 μM, while derivative 4a, derived from our internal library, showed a Ki of 0.9 μM. A hit-to-lead optimization effort was then initiated on derivative 4a to improve its potency. Slightly modifications rapidly determine an increase in the binding affinity, with the best inhibitors 4c and 4d having Kis of 70 and 95 nM, respectively. Both compounds were found able to inhibit the phosphorylation of the protein Tau in an Alzheimer's model cell line and showed antiproliferative activities against different cancer cell lines. (Chemical Equation Presented).

PhICl2-mediated conversion of enamines into α, N -dichloroimines and their reverse conversion mediated by zinc in methanol

Treatment of enamine compounds with iodobenzene dichloride (PhICl 2) conveniently gives a variety of α,N-dichloroimines in high yields. This approach allows the double insertion of the chloro moiety, which is postulated to take place via the io

Isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors: SAR and pharmacokinetic evaluation

The synthesis and structure-activity relationship studies of isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors are discussed. The pharmacokinetic profile of 10 and 21 with adequate CNS penetration, required for in vivo Parkinson's disease mod

Synthesis of 3-phenylpyrazolopyrimidine-1,2,3-triazole conjugates and evaluation of their Src kinase inhibitory and anticancer activities

A series of two classes of 3-phenylpyrazolopyrimidine-1,2,3-triazole conjugates were synthesized using click chemistry approach. All compounds were evaluated for inhibition of Src kinase and human ovarian adenocarcinoma (SK-Ov-3), breast carcinoma (MDA-MB

A small molecule inhibitor selective for a variant ATP-binding site of the chaperonin GroEL

The chaperonin GroEL is a megadalton-sized molecular machine that plays an essential role in the bacterial cell assisting protein folding to the native state through actions requiring ATP binding and hydrolysis. A combination of medicinal chemistry and genetics has been employed to generate an orthogonal pair, a small molecule that selectively inhibits ATPase activity of a GroEL ATP-binding pocket variant. An initial screen of kinase-directed inhibitors identified an active pyrazolo-pyrimidine scaffold that was iteratively modified and screened against a collective of GroEL nucleotide pocket variants to identify a cyclopentyl carboxamide derivative, EC3016, that specifically inhibits ATPase activity and protein folding by the GroEL mutant, I493C, involving a side chain positioned near the base of ATP. This orthogonal pair will enable in vitro studies of the action of ATP in triggering activation of GroEL-mediated protein folding and might enable further studies of GroEL action in vivo. The approach originated for studying kinases by Shokat and his colleagues may thus also be used to study large macromolecular machines.

Unraveling structure-reactivity relationships in SNV reactions: Kinetics of the reactions of methoxybenzylidenemalononitrile, 2-(methylthiobenzylidene)- 1,3-indandione, 2-(benzylthiobenzylidene)-1,3-indandione, and methyl β-methylthio-α-nitroci

The kinetics of the title reactions were determined in 50% DMSO-50% water (v/v) at 20 °C; n-BuS-, HOCH2CH2S-, and MeO2CCH2S- were used as thiolate ions. The reactions with the th