Green synthesis of Novel Schiff bases derived from 2, 6 diamino pyridine – Characterization and Biological activity

Present work produces an excellent green route for the synthesis of Schiff bases derived from 2, 6 diamino pyridine, by using lemon juice as the catalyst. This method is experimentally simple, quick, clean and high yielding. Purity and yield of the reaction is increased by using lemon juice there by avoided the traditional dehydrating agents like glacial acetic acid. This method was successfully extended for the synthesis of different Schiff bases derived from 2,6 diamino pyridine like N,N´-bis(2-hydroxy-1-napthalene)-2,6-pyridiamine, N,N´-bis(2-methoxy-1-napthalene)-2,6-pyridiamine and N,N´-bis (naphthalene)- 2,6-pyridiamine. These compounds were prepared by using catalytic amount of lemon juice, and found more economical, safe, neat and eco friendly than using other commercially available dehydrating agents.The synthesized compounds were characterized by FT-IR, 1HNMR spectroscopy, CHN analysis and mass. Compounds are screened for their antifungal activity against Aspergillusniger and M.fufur while antibacterial activity was checked against E.coli, Klebsiella, Bacillus cereus and Staphylococcus aureus. Hydroxyl derivative of the compound was showing significant anti bacterial activity against all selected bacteria. Klebsiella was showing a considerable inhibition compared to standard Tetracycline

Self-assembly of cis- and trans-cyclic-1,2-diols. Supramolecular synthon equivalence between cis-1,2-diols and primary amides

Inspite of the fact that the self-assembly of compounds containing hydroxyl group has been enormously documented in the literature, our studies with aliphatic cyclic diols have offered the unique opportunity to examine the self-assembly of gauche and anti forms of ethylene glycol. Whereas the cis-diols are found to form dimers that infinitely assemble further to yield tapes, the anti-diols are found to form linear chains that link up further to yield molecular tapes. Notably, both the isomers lead to molecular tapes, which have attracted immense attention since the inception of self-assembly for controlling molecular organization. Quite remarkably, the self-assembly observed with cis-diols establish a formal equivalence between supramolecular synthons associated with cis-1,2-diols and primary amides. Although the assembly of diols is akin to the tape structure adopted by primary amides, we prefer to view the association of diols as a ladder. The structures of 5-cis and 8-cis are both step-ladder assemblies. That formed by 5-trans is a new variant termed as rope-ladder assembly. The ring motifs observed in the crystal packing suggest for further scope in exploiting the polyhydroxyl compounds for self-assembly in a predictive manner

gem-​Chloronitrosocyclododecane, (CH22)​n-​1CNOCl, with n = 12

The title compd., C12H22ClNO, adopts the square conformation [3333] obsd. in other known satd. twelve-​membered rings. Disorder is obsd., resulting from exchange of the chloro and nitroso substituents. Crystallog. data are given

Molecular docking studies of curcumin derivatives with multiple protein targets for procarcinogen activating enzyme inhibition

Curcumin derivatives which are very potent antioxidant, free radical scavenger and known inhibitor of dioxygenases have been extensively studied to explore their potential utilization in chemoprevention. The main objective of the present work is to perform a docking analysis of curcumin derivatives: Tetrahydrocurcumin (THC), Bisdemethoxy curcumin (BDC). Docking studies of these were performed using GOLD and AutoDock into a few well validated targets of anticancer therapy (COX-2, PhenolsulphoTransferases, Matrix metalloproteinases (MMPs), P450 and TNF-alpha). A good correlation was observed in binding affinity of THC and BDC against the targets indicating these derivatives are potent procarcinogen activating enzyme inhibitors. © 2010 Girija CR, et al

Synthesis, spectroscopic and crystal structure analysis of a compound with pharmocophoric substituent: 2-cyclohexyl-6-(2-oxo-2H-chromen-3-yl)- imidazo[2,1-b] [1,3,4]thiadiazole-5-carbaldehyde

Imidazo[2,1-b][1,3,4] thiadiazole derivatives are significant for their various pharmacological properties. This paper reports the synthesis and structure of one of them, 2-cyclohexyl-6-(2-oxo-2H-chromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde. The compound crystallizes in the monoclinic space group P21/c with a=17.316(3)Å, b=6.5420(9)Å, c =17.056(3)Å, β=112.909(2)°, V=1779.7(4)Å3, z=4. The, Imidazo[2,1-b][1,3,4] thiadiazole and the coumarin ring systems are each planar but inclined at an angle of 48.14(2)° towards each other. The crystal structure is stabilized by C–H … O interactions

Synthesis, Spectroscopy and Crystal Structure of 2‐Ethyl‐6‐(4‐nitrophenyl)imidazo[2,1‐b] [1,3,4]thiadiazole‐5‐carbaldehyde.

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In silico docking analysis of piperine with cyclooxygenases

The structure of 1-[5-(1,3-benzodioxol- 5-yl)-1-oxo-2,4- pentadienyl]piperidine (Piperine), C17H19O3N, a versatile bioactive molecule has been redetermined at 100(2) K by X-ray crystallography to explore their potential utilization in inhibition of prostaglandin release. The crystal structure is stabilized by weak nonclassical intermolecular C-H…O hydrogen bonds and also intermolecular C-H…π interactions. The crystallographic coordinates of the compound were extrapolated to docking studies to elucidate the action of piperine against the enzymes, cyclooxygenases (COX-1 and COX-2) involved in biosynthesis of prostaglandin release. Using AutoDock suite, piperine was docked at the binding site of COX-1 and COX-2 enzyme and a strong affinity (-9.06kcal/mol, Ki =227.73nM and -8.77kcal/mol, Ki = 375.62nM, respectively) was formed by Hydrogen bonds and hydrophobic interactions. These results suggest that piperine can be a promising lead for the development of COX family inhibitors

α-Fe2O3 Nanoparticles: An Efficient, Inexpensive Catalyst for the one-pot Preparation of 3,4-dihydropyrano[c]chromenes

This paper describes the combustion synthesis of α-Fe2O3 nanopowder at much lower temperature and its catalytic activity for the one-pot preparation of 3,4-dihydropyrano[c]chromenes. The combustion derived α-Fe2O3 nanopowder was characterized by powder X-ray diffraction (PXRD), Braunauer, Emmett and Teller (BET) surface area, scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). Highly efficient, three-component condensation of aromatic aldehyde, malanonitrile and 4-hydroxycoumarin catalyzed by α-Fe2O3 nanoparticles at room temperature is described. The method offers an excellent alternative to the synthesis of 3,4-dihydropyrano[c]chromenes. The reactions are rapid, clean, and the products with good yield and high purity

4-Ammonio-5-chloro-N-2-(N,N-diethyl-ammonio)ethyl-2-methoxybenzamide sulfate

The structural properties of C14H24ClN 3O22+ ·SO42-, known as metoclopramide sulfate was investigated. Single crystals for the study were grown from a methanol solution by slow evaporation at room temperature. It was observed that the compound was non-planar, both the molecular and crystal structures being stabilized by N-H···O and C-H···O hydrogen bonds. A gauche conformation was also observed in an amino ethyl side chain

1-Dimethylamino-3-dimethyliminio-2-(p-methoxyphenyl)prop-1-ene perchlorate

The title compound, C14H21N2O +·ClO4-, is an organic non-linear optical material. It crystallizes in the monoclinic space group P21 and exhibits second-harmonic generation equivalent to that of urea. The structural study shows extensive electron delocalization in the vinamidinium moiety. The dihedral angle between the vinamidinium moiety and the benzene ring is 81.6 (1)°. © 2004 International Union of Crystallography Printed in Great Britain - all rights reserved