scholarly journals Complexes With Biologically Active Ligands. Part 2. Preparation of Copper(II) Complexes of Positively-Charged Derivatives of Aminoglutethimide

1996 ◽  
Vol 3 (2) ◽  
pp. 57-62 ◽  
Author(s):  
Claudiu T. Supuran
Keyword(s):  
Octahedral Geometry ◽  
Organic Ligands ◽  
Biologically Active ◽  
Water Molecules ◽  
Donor Atom ◽  
Alkyl Aryl ◽  
Coordination Sites ◽  
Zinc Enzyme ◽  
Derivatives Of ◽  
Positively Charged

Cu(II) complexes of 1-[4-(3-ethyl-piperidine-2,6-dione)-3-yl]-phenyl-2,4,6-trisubstituted pyridinium perchlorates, containing alkyl, aryl and combinations of these two types of moieties in their molecule were synthesized and characterized by elemental analysis, spectroscopy, magnetic, thermogravimetric and conductimetric measurements. In these complexes, Cu(II) ions are in octahedral geometry with four water molecules occupying the equatorial coordination sites and the two organic ligands in deprotonated state the remaining axial ones. The donor atom of these ligands is constituted by the ionized nitrogen of the glutarimide moiety. The new derivatives possess weak inhibitory activity towards the zinc enzyme carbonic anhydrase.

scholarly journals Crystal structure of diaquabis(7-diethylamino-3-formyl-2-oxo-2H-chromen-4-olato-κ2O3,O4)zinc(II) dimethyl sulfoxide disolvate

2016 ◽  
Vol 72 (7) ◽  
pp. 1032-1036
Author(s):  
Aaron B. Davis ◽  
Frank R. Fronczek ◽  
Karl J. Wallace
Keyword(s):  
Dimethyl Sulfoxide ◽  
Chelate Ring ◽  
Octahedral Geometry ◽  
Organic Ligands ◽  
Water Molecules ◽  
Inversion Center ◽  
Formyl Group ◽  
Coordination Sites ◽  
Group A ◽  
Ring Motif

The structure of the title coordination complex, [Zn(C14H14NO4)2(H2O)2]·2C2H6OS, shows that the ZnIIcation adopts an octahedral geometry and lies on an inversion center. Two organic ligands occupy the equatorial positions of the coordination sphere, forming a chelate ring motifviathe O atom on the formyl group and another O atom of the carbonyl group (a pseudo-β-diketone motif). Two water molecules occupy the remaining coordination sites of the ZnIIcation in the axial positions. The water molecules are each hydrogen bonded to a single dimethyl sulfoxide molecule that has been entrapped in the crystal lattice.

scholarly journals Copper(II) Complexes of Organophoshonic Acids-A Comparative Study

2011 ◽  
Vol 8 (s1) ◽  
pp. S271-S281
Author(s):  
B. Venkateswara Rao ◽  
D. M. Puri
Keyword(s):  
Phosphonic Acid ◽  
Octahedral Geometry ◽  
Spectral Studies ◽  
Diphosphonic Acid ◽  
Paramagnetic Resonance ◽  
Diethylene Triamine ◽  
Coordination Sites ◽  
Infrared Spectral ◽  
Electron Paramagnetic ◽  
Derivatives Of

Polynuclear copper(II) derivatives of 1-hydroxyethylidenediphosphonic acid (HEDP), 1-aminoethylidenediphosphonic acid (AEDP, H4L),α-aminobenzylidene diphosphonic acid (ABDP, H4L), 1-amino-2-carboxyethane- 1,1-diphosphonic acid (ACEDP, H5L), 1,3 diaminopropane-1,1,3,3-tetra-phosphonic acid (DAPTP, H8L), Ethylenediamine-N,N'-bis (dimethyl-methylenephosphonic) acid (EDBDMPO, H4L),o-phenylene-diamine-N,N'-bis (dimethylmethylenephosphonic) acid (PDBDMPO, H4L), diethylene triamine –N,N,N',N',N"N-penta (methylene phosphonic) acid (DETAPMPO, H10L) and diethylene triamine –N,N"-bis (dimethyl methylene phosphonic) acid (DETBDMPO, H4L) have been prepared in aqueous medium. The general formula of derivatives from elemental analysis was found to be Cu2L.XH2O (in case of AEDP, ABDP, EDBDMPO, PDBDMPO, DETBDMPO), Cu5L2.XH2O (in case of ACEDP) Cu4L.XH2O, Cu2H4L. XH2O (in case of DAPTP) and Cu5L.XH2O (in case of DETAPMPO). The electronic spectra have shown them to be six coordinated with slight distortion from octahedral geometry. Antiferromagnetism was inferred from magnetic moment data. Infrared spectral studies were carried out to determine coordination sites. EPR (Electron Paramagnetic Resonance) spectra that supports the presence of tetragonal distortion and antiferromagnetic behaviour, have also been studied.

scholarly journals Review of antibacterial and antifungal activity of 1,2,4-triazole derivatives

2018 ◽  
pp. 63-68
Author(s):  
Т. О. Samura
Keyword(s):  
Antifungal Activity ◽  
Heterocyclic Compounds ◽  
Practical Importance ◽  
Complex Compounds ◽  
Biologically Active ◽  
Alkyl Aryl ◽  
Triazole Derivatives ◽  
Antimicrobial And Antifungal Activity ◽  
Antibacterial And Antifungal ◽  
Derivatives Of

Derivatives of 1,2,4-triazole is a very  perspective class of heterocyclic compounds which have high therapeutic effectiveness. The main direction of research on these derivatives are antifungal, antiviral, antibacterial, soothing, hypnotic, anticonvulsant, anti-inflammatory and other activities. The aim was to analyze literature data and generalize recent advances in the study of antimicrobial and antifungal action of 1,2,4-triazole derivatives which can help to create new biologically active substances of this type of activity. Bibliosemantical method, systems thinking and the results of our own research were used in the work. The results of the literature review of antimicrobial and antifungal activity among new alkyl, aryl and heteryl derivatives of 1,2,4-triazole and among complex compounds, which contain 1,2,4-triazole are as ligands were analyzed and systematized. Some dependence of this type of activity on specialty of chemical structure of heterocyclic system derivatives was specified. Perspective of purposeful synthesis of new derivatives of 1,2,4-triazole and products of their transformation as available object for studying biological activity and expanding knowledge about antimicrobial and antifungal activity of this class of heterocyclic compounds were shown with informational analysis. Topicality and practical importance of finding biologically active compounds and receiving biologically active substance by synthesis of new derivatives of 1,2,4-triazole with high antimicrobial activity in relation to gram-negative and gram-positive bacteria were demonstrated.

scholarly journals Diaquabis[3-(4-methylphenyl)-5-(pyridin-2-yl-κN)-1H-1,2,4-triazolato-κN 1]cadmium trihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Wen-Tao Fan ◽  
Ze-Yu Zhang ◽  
Jun-Feng Kou ◽  
Feng-Yi Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Organic Ligands ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
The Mean

In the title compound, [Cd(C14H11N4)2(H2O)2]·3H2O, the CdII cation is chelated by two 3-(4-methylphenyl)-5-(pyridin-2-yl)-1H-1,2,4-triazolate anions and coordinated by two water molecules in a distorted N4O2 octahedral geometry. Within the organic ligands, the methylphenyl rings are twisted with respect to the mean planes of chelating rings by 18.31 (16) and 14.89 (15)°. In the crystal, extensive O—H...O and O—H...N hydrogen bonds and weak C—H...O interactions link the molecules into a three-dimensional supramolecular architecture.

Experimental and Theoretical Investigations of Complex Formation of Substituted Phenylazo-Derivatives of Methylphloroglucinol

2016 ◽  
Vol 12 (8) ◽  
pp. 295-300
Author(s):  
Olga Kovalchukova ◽  
Amangdam A.T. ◽  
Strashnova S.B. ◽  
Strashnov P.V. ◽  
Romashkina E.P. ◽  
...  
Keyword(s):  
Complex Formation ◽  
Organic Ligand ◽  
Spectrophotometric Titration ◽  
Organic Ligands ◽  
Oh Groups ◽  
Tautomeric Forms ◽  
Theoretical Investigations ◽  
Derivatives Of ◽  
Theoretical Results ◽  
Titration Technique

Using spectrophotometric titration technique, the processes of complex formation of some phenylazo-derivatives of methylphloroglucinol (MPG) containing hydroxo-, nitro- and nitroso-substituents were studied. The spectral criteria of neutral and ionized forms of the organic ligands in their different tautomeric forms were determined.It was detected that the complex formation is accompanied by formation of one or two chelate cycles which involve azo- or nitroso-fragments and neighboring OH-groups of the organic ligands. Different types of coordination lead to different changes in the electronic absorption spectra.The DFT-B3LYP modeling of a Ni(II) complex of α-hydroxyphenylazo MPG established the most probable coordination mode of the organic ligand: tridentate chelating dianion, distorted square coordination of Ni-cations including one water molecule.  The theoretical results are in a good accordance with the experimental data.

SOME DIRECTIONS IN THE MODIFICATION OF AZOLES

2020 ◽  
Vol 5 (443) ◽  
pp. 85-91
Author(s):  
Ibrayev M.K., ◽  
◽  
Takibayeva A.T., ◽  
Fazylov S.D., ◽  
Rakhimberlinova Zh.B., ◽  
...  
Keyword(s):  
13C Nmr Spectroscopy ◽  
Biologically Active Compounds ◽  
Biologically Active ◽  
Active Compounds ◽  
Synthesis Conditions ◽  
Alkaloid Cytisine ◽  
Azole Ring ◽  
Cyclic Compounds ◽  
New Compounds ◽  
Derivatives Of

This article presents studies on the targeted search for new derivatives of azoles, such as benzthiazole, 3,5-dimethylpyrazole, 1,3,4-oxadiazole-2-thione, 1,3,4-thiadiazole. The possibility of combining in one molecule of the azole ring with other cyclic compounds: the alkaloid cytisine, morpholine, furan and some arenes has been studied. To obtain new compounds, the reactions of bromination, acylation, and interaction with isothiocyanates were studied. Optimal synthesis conditions were studied for all reactions. It was found that the reaction of 4-bromo-3,5-dimethylpyrazole with isothiocyanates, in contrast to the previously written derivatives of anilines, takes a longer time and requires heating the reaction mixture. The combination of a pirasol fragment with halide substituents often results in an enhanced therapeutic effect. The synthesized 2-bromine-N-(6-rodanbenzo[d]thiazole-2-yl)acetamide, due to the alkylbromide group, is an important synth in the synthesis of new benzthiazole derivatives. Its derivatives combine in one molecule the rest of rhodanbenzthiazole with alkaloid cytisine and biogenic amine morpholine and are potentially biologically active compounds, since the molecule structure contains several pharmacophoric fragments: benzthiazole and alkaloid (amine) heterocycles, rhodane and urea groups. The mechanism of formation of 1,3,4-oxadiazole-2-tyons from hydrazides under action on them by carbon disulfide was studied and assumed. It was shown that dithiocarbamates in acidic medium decompose with the release of hydrogen sulfide and the formation of highly reactive isothiocyanate group. Then, intra-molecular cyclization occurs, with the formation of end products - 1,3,4-oxadiazole-2-thions. The structures of the synthesized compounds were studied by 1H and 13C NMR spectroscopy. All synthesized substances are potentially biologically active compounds, since they contain several pharmacophore fragments in their structure.

scholarly journals Quantum-Chemical Search for Keto Tautomers of Azulenols in Vacuo and Aqueous Solution

Symmetry ◽  
2021 ◽  
Vol 13 (3) ◽  
pp. 497
Author(s):  
Ewa D. Raczyńska
Keyword(s):  
Aqueous Solution ◽  
Quantum Chemical ◽  
Biologically Active ◽  
Deprotonation Reaction ◽  
Chemical Studies ◽  
Quantum Chemical Studies ◽  
Scanty Information ◽  
Derivatives Of ◽  
Common Anion ◽  
Tautomeric Mixture

Keto-enol prototropic conversions for carbonyl compounds and phenols have been extensively studied, and many interesting review articles and even books appeared in the last 50 years. Quite a different situation takes place for derivatives of biologically active azulene, for which only scanty information on this phenomenon can be found in the literature. In this work, quantum-chemical studies have been undertaken for symmetrically and unsymmetrically substituted azulenols (constitutional isomers of naphthols). Stabilities of two enol (OH) rotamers and all possible keto (CH) tautomers have been analyzed in the gas phase {DFT(B3LYP)/6-311+G(d,p)} and also in aqueous solution {PCM(water)//DFT(B3LYP)/6-311+G(d,p)}. Contrary to naphthols, for which the keto forms can be neglected, at least one keto isomer (C1H, C2H, and/or C3H) contributes significantly to the tautomeric mixture of each azulenol to a higher degree in vacuo (non-polar environment) than in water (polar amphoteric solvent). The highest amounts of the CH forms have been found for 2- and 5-hydroxyazulenes, and the smallest ones for 1- and 6-hydroxy derivatives. The keto tautomer(s), together with the enol rotamers, can also participate in deprotonation reaction leading to a common anion and influence its acid-base properties. The strongest acidity in vacuo exhibits 6-hydroxyazulene, and the weakest one displays 1-hydroxyazulene, but all azulenols are stronger acids than phenol and naphthols. Bond length alternation in all DFT-optimized structures has been measured using the harmonic oscillator model of electron delocalization (HOMED) index. Generally, the HOMED values decrease for the keto tautomers, particularly for the ring containing the labile proton. Even for the keto tautomers possessing energetic parameters close to those of the enol isomers, the HOMED indices are low. However, some kind of parallelism exists for the keto forms between their relative energies and HOMEDs estimated for the entire molecules.

scholarly journals 2-Amino-5-chloropyridinium cis-diaquadioxalatochromate(III) sesquihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m824-m825 ◽  
Author(s):  
Ichraf Chérif ◽  
Jawher Abdelhak ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Rotation Axis ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Lattice Water ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Independent Lattice

In the crystal structure of the title compound, (C5H6ClN2)[Cr(C2O4)2(H2O)2]·1.5H2O, the CrIII atom adopts a distorted octahedral geometry being coordinated by two O atoms of two cis water molecules and four O atoms from two chelating oxalate dianions. The cis-diaquadioxalatochromate(III) anions, 2-amino-5-chloropyridinium cations and uncoordinated water molecules are linked into a three-dimensional supramolecular array by O—H...O and N—H...O hydrogen-bonding interactions. One of the two independent lattice water molecules is situated on a twofold rotation axis.

Synthesis of biologically active derivatives of cyclopenteno[d]-selenazole and their thioanalogs

1982 ◽  
Vol 16 (6) ◽  
pp. 460-463
Author(s):  
A. A. Tsurkan ◽  
Z. F. Gromova ◽  
�. A. Rudzit ◽  
G. N. Neshchadit ◽  
D. A. Kulikova
Keyword(s):  
Biologically Active ◽  
Derivatives Of ◽  
Biologically Active Derivatives
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