The long-wavelength absorption of eight 9-(phenoxycarbonyl)-acridines and the 10-H-9-(phenoxycarbonyl)-acridinium and 10-methyl-9-(phenoxycarbonyl)-acridinium cations derived from them, substituted with an alkyl or trifluoroalkyl group at the benzene ring, occurs above 300 nm as the superpositio...

The structural, spectroscopic and electronic features of the 6-(Chloromethyl)uracil (6CMU) have been characterized by using single crystal X-ray diffraction (XRD), 1H and 13C NMR, UV–Vis. and vibrational (FT-IR and Raman) spectroscopies. The classical geometry analyses of intermolecular interac...

Reaction of O-trimethylsilyl (O-TMS) derivatives of α-dimethylamino ketones with chloro(chloromethyl)dimethylsilane led to the formation of six-membered heterocyclic compounds with tetracoordinated silicon atom - 3,4-dihydro-2H-1,4,2-oxazasilin-4-ium chlorides. The exchange reactions of 2,2,4,4...

The X-ray diffraction spectra of liquid chloromethyl-oxirane (ClMO) and chloromethyl-thiirane (ClMT) have been recorded for the first time. The interpretation of X-ray measurements was based on ab initio molecular dynamics simulations at finite temperature conditions. Both liquids show conformat...

Inhibitors of p38 mitogen-activated protein (MAP) kinase, which are closely involved in the production of inflammatory cytokines, are considered promising curative drugs for chronic inflammatory disorders. However, there is also a growing concern regarding its systemic side effects. To reduce th...

The inhibition of chitinase activity is considered of great importance for the development of novel antifungal agents. Here we explore 4-hydroxycoumarins as a novel natural product-derived scaffold for inhibiting chitinases. A new series of 4-hydoxycoumarin derivatives containing Schiff's b...

Ca2+ overload in myocardial cells is responsible for arrhythmia. Sodium–calcium exchanger (NCX) inhibitors are more effective than sodium–hydrogen exchanger (NHE) inhibitors with regard to modulation of Ca2+ overload, because NCX inhibitors can directly inhibit the influx of Ca2+ into cells. N...

The sodium–calcium exchanger (NCX) transports Na+ and Ca2+ ions, and controls the Ca2+ concentration in myocytes. Calcium overload is induced via activation of reverse NCX, and is responsible for reperfusion injury in heart failure. Hence, NCX is an attractive target for prevention and treatmen...

Mycophenolic acid (MPA) has been previously reported as an inhibitor of the chikugunya virus (CHIKV) with an EC50 value of 0.2 μM. We used MPA as a lead compound designing and synthesizing a series of isatins and benzolactones in a typical medicinal chemistry program. The synthesis and testing ...

A highly enantioselective addition of diphenyl phosphite to ketimines derived from isatins has been developed employing bifunctional thiourea-tertiary amine organocatalysts. A variety of isatins derived ketimines react well with diphenyl phosphite in the presence of Cinchona-derived thiourea (ep...

ABSTRACTEfficiently and selectively detecting definite organic compound is attractive but challenging. In this study, we report two novel cucurbit[6]uril (Q[6]) - based supramolecular assemblies {(NH4)2[Zn(H2O)6][Mg(TPTCA)(H2O)2]4(Q[6])6}·66H2O (1) and {[Zn(PBPCA)(H2O)2]Q[6]}·21H2O (2) [H3TPTC...

A series of 9-(2-naphthyl)anthracene derivatives with a triphenylsilane unit, which prevented molecular aggregation and self-quenching effect, was designed and synthesized. By using various bridges between the 9-(2-naphthyl)anthracene group and the triphenylsilane unit, five deep-blue emitters w...

Neurokinin-3 receptor (NK3R) plays a pivotal role in the release of gonadotropin-releasing hormone in the hypothalamus–pituitary–gonadal (HPG) axis. To develop novel NK3R antagonists with less environmental toxicity, a series of heterocyclic scaffolds for the triazolopiperazine substructure in...

Utilizing a pharmacophore hybridization approach, a novel series of substituted indolin-2-one derivatives were designed, synthesized and evaluated for their in vitro biological activities against p21-activated kinase 4. Compounds 11b, 12d and 12g exhibited the most potent inhibitory activity aga...

Fms-like tyrosine kinase 3 (FLT3) is a well-known and important target for the treatment of acute myeloid leukemia (AML). A series of thieno[2,3-d]pyrimidine derivatives from a modification at the 6-position were synthesized to identify effective FLT3 inhibitors. Although compounds 1 and 2 emerg...

Starting from 4-amino-8-quinoline carboxamide lead 1a and scaffold hopping to the chemically more tractable quinazoline, a systematic exploration of the 2-substituents of the quinazoline ring, utilizing structure activity relationships and conformational constraint, resulted in the identificatio...

Eicosapentaenoyl ethanolamide (EPEA) is a lipid signaling molecule. In this study, an effective process is described to synthesize EPEA by enzymatic amidation using eicosapentaenoic acid ethyl ester (EPA-EE) as acyl donor with lipase as catalyst. The reaction conditions were optimized. When the ...

A new pathway towards α-fluoro-β-arylvinyl sulfones was elaborated. The reaction of β-bromo-β-fluorostyrenes with sodium 4-methylphenylsulfinate proceeds with maximum 94:6 stereoselectivity and 72–90% yields. The formed α-fluoro-β-arylvinyl sulfones were found to be good dienophiles for D...

A highly stereoselective [3 + 2] cycloaddition for constructing the chiral spiro-cyclopentene/cyclopentadiene-oxindole skeletons is developed. Under the mild reaction conditions, the straightforward cyclization of isatin-derived MBH carbonates and β,γ-unsaturated α-keto esters involving a chi...

A novel enantioselective Mannich reaction of γ-malonate-substituted α, β-unsaturated esters with N-protected arylaldimines was realized by using asymmetric phase-transfer catalysis (APTC). With amino acid-derived bifunctional thiourea-phosphonium salts as a catalyst, a series of enantio-enric...