A method for the conversion of esters to carboxylic acids has been reported. Reaction of methyl o-methoxybenzoate with N-(trimethylsilyl)diethylamine and methyl iodide, followed by hydrolysis, afforded o-methoxybenzoic acid with a 94% yield based on 96% conversion. Methyl esters of not only arom...

Various 5-chloroarylidene-2-amino substituted derivatives of imidazoline-4-one were synthesized and evaluated for their activity in vitro against Mycobacterium tuberculosis and other type strains of bacteria and fungi. 2-Chloro- and 2,4-dichlorobenzylidene substituted hydantoins exhibited antimy...

The electronic structure and adsorption properties of the 2,6-dichlorobenzylidene-2,4-dichloroaniline (2,6-DBDA) and 2,4-dichlorobenzylidene-2,4-dichloroaniline (2,4-DBDA) over the surface of single-walled carbon nanotube (SWCNT) were theoretically investigated in the gas phase using the B3LYP/6...

Apoptosis signal-regulating kinase 1 (ASK1) plays important roles in the pathogenesis of type 1 and type 2 diabetes, autoimmune disorders, cancer and neurodegenerative diseases suggesting that small compounds inhibiting ASK1 could be used for the treatment of these pathologies. We have identifie...

The reaction of N,N-diethyl-1,1,2,3,3,3-hexafluoropropaneamine(PPDA) with aromatic α-hydroxyesters exchanged F for OH and gave their corresponding fluorides. For example, ethyl 2-fluoro-2-(p-tolyl) acetate was obtained from the reaction of ethyl 2-hydroxy-2-(p-tolyl) acetate with PPDA.

Reaction of guaiazulene (1) with methyl terephthalaldehydate (2) in methanol in the presence of hexafluorophosphoric acid at 25 °C for 2 h under aerobic conditions gives (3-guaiazulenyl)[4-(methoxycarbonyl)phenyl]methylium hexafluorophosphate (5) in 94% yield. Similarly, reactions of 1 with 2-h...

Vibrational intensities are both experimentally measured and theoretically estimated important physical quantities which are directly related to distributions of the electric charges in a molecule. In this paper, as a novel approach, by a layered feedforward neural network (LFNN), empirical phys...

A new isomers of thiourea derivatives, namely N-(4-chlorobutanoyl)-N′-(2-methylphenyl)-thiourea (1a), N-(4-chlorobutanoyl)-N′-(3-methylphenyl)thiourea (1b) and N-(4-chlorobutanoyl)-N′-(4-methylphenyl)thiourea (1c) have been synthesized by refluxing mixture of equimolar amounts of 4-chlorobuta...

Novel copper(II) coordination compounds with 3-amino-5-(4-methylphenyl)isoxazole (L) such as [CuL4Cl]Cl (I), [CuL4(NO3)2] (II) and [CuL3SO4] (III), have been synthesized. The compounds have been investigated by means of single-crystal X-ray diffraction, UV–Vis and IR spectroscopy, and static ma...

Density-functional theory (DFT) and Marcus charge transport theory were employed to investigate the hole transport property of N,N′-diphenyl-N,N′-bis(3-methylphenyl)-(1,1′-biphenyl)-4,4′-diamine (TPD) which is a prototype of good hole-transporting materials. Using an incoherent transport mod...

This study treats about two successfully synthesized secondary amide compounds 3-Acetoxy-2-methyl-N-(phenyl)benzamide, I and 3-Acetoxy-2-methyl-N-(4-methylphenyl)benzamide, II. Compounds were characterized by FTIR, 1H NMR, 13C NMR and X-ray single crystal diffraction analysis techniques. Single ...

This paper presents a DFT quantum chemical investigation of the molecular conformation, NMR chemical shifts and vibrational transitions of N-(2-methylphenyl)methanesulfonamide and N-(3-methylphenyl)methanesulfonamide (C8H11NO2S) employing B3LYP exchange correlation. The vibrational wavenumbers w...

Owing to their low glass transition temperature, Tg, amorphous thin films of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine (TPD) undergo morphological changes even at room temperature. It has been noticed previously that exposure to UV light can increase apparent Tg of TPD films and thus ...

A direct correlation between cancer progression and cathepsin expression has engrossed extensive consideration of these enzymes as potential drug targets for anticancer therapies. The present work is emphasized on potential therapeutic impact of 27 compounds on cathepsin B and cathepsin H, two s...

In our effort to delineate novel pharmacophoric configuration of bioisosteric pyran versions of cis-(6-benzhydryl-piperidin-3-yl)-benzylamine derivatives in interacting with the monoamine transporter, further structure–activity relationship study was carried out. Both cis and trans 2,4- and 3,6...

Myristyl nicotinate (Nia-114) is an ester prodrug being developed for delivery of nicotinic acid (NIC) into the skin for prevention of actinic keratosis and its progression to skin cancer. To facilitate dermal studies of Nia-114, a novel liquid chromatography–tandem mass spectrometry (LC–MS/MS...

Myristyl nicotinate is an ester prodrug under development for delivery of nicotinic acid to skin for treatment and prevention of conditions that involve skin barrier impairment such as chronic photodamage and atopic dermatitis or for mitigating skin barrier impairment that results from therapy s...

Amorphous solid dispersions are nowadays typically made up of a drug compound and a water-soluble polymer. However, recently it has been demonstrated that amorphous solid dispersions based on insoluble polymers have a different and more delayed drug release profile, resulting in a prolonged dura...

pH-responsive hydrogels prepared by copolymerization between 2-hydroxyethyl methacrylate (HEMA) and 2-(diisopropylamino)ethyl methacrylate (DPA) appear to be a promising system for controlling Dexamethasone 21-disodium phosphate (DXP) release behaviors for ophthalmological treatments. The incorp...

In this study, CmCHT-g-pHEA hydrogels were prepared by grafting 2-hydroxyethyl acrylate (2-HEA) onto carboxymethyl chitosan (CmCHT) using N, N′-methylenebis(acrylamide) (MBA) as a crosslinker. The physicochemical properties and in vitro drug release behavior of the CmCHT-g-pHEA hydrogels were s...