A highly efficient protocol for the synthesis of diverse aryl (heteroaryl) substituted pyridyl oxadiazol‐2(3H)‐one analogues using Suzuki‐Miyaura cross‐coupling strategy under microwave enhanced conditions is developed. The method is found to be compatible with a wide range of aryl (heteroaryl) boronic acids.
The title compound dihydro-pyridine was synthesized and structure is established by FT-IR, 1 H NMR, and 13 C NMR spectral analysis. The SC-XRD analysis has been carried out for the determination of molecular structure and its disclosed that crystal relates to monoclinic crystal phase, P21/n1 space group and cell parameters are a= 10.2314(2), b = 7.5215(1), c = 24.5475(4), α = 90, β = 97.921(1)° γ = 90 with 0.34 x 0.33 x 0.30 crystal size. The crystal lattice exhibits inter-molecular H-bonding between N1-H1A-O1. Further inter contacts of the crystal lattice were determined by 3-D Hirshfeld surface (HSA) as well as percentage of contributions have been computed through 2D finger plot depiction. Moreover, bond length, bond angle and torsion angles have been correlated to respective output results of B3LYP/6-311++G(d,p). The electrophilic and nucleophilic characters have been studied through molecular electrostatic potential (MEP) analysis.
Vaccine potentiality and stem cell therapy is the new development in curing the Cancer. There are different types of cancer and different curing methods are being discussed by different scientist. The new diagnostic methods using DNA vaccine, adjuvants and target oriented cells methods are used in a descriptive method. The stem cell therapy also enhancing in identifying the site of tumour regenesis and curing the tumour by inducing different target oriented cells like chemokines and interleukin (IL). Beside these mesenchymal stem cells also regenerates the new cell lines for new target oriented cells. Hence no doubt at molecular level, the alteration of stem cell self-renewal pathways has been recognized as an essential step for cancer stem cells transformation. Influencive study and therapy will help to eradicate the disease and vaccines or stem cells will be new era in pharmaceuticals for Cancer.
The title compound was synthesized and confirmed by FT-IR, 1 H, 13 C NMR analysis. The molecular structure of the compound was precisely determined by Single Crystal X-ray Diffraction (SC-XRD) analysis. The crystalized compound shows P21/C & monoclinic crystal system with cell parameters a = 9.7768 (5), b = 7.4005(3) and c = 24.8099 (12), β=93.734(2)°.The structural and electronic properties of the compound were carried out by Density Functional Theory (DFT) calculations. The compound exhibited H-bonding between N1-H1A-----O1 with bond distance 2.98(7) A°).The energy gap Egap 4.53eV and Egap= 4.34eV for crystal and DFT method respectively. The molecular orbitals energies were studied through Highest Unoccupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) analysis. The softness and hardness of the molecule was studied through Global Chemical Reactivity Descriptors (GCRD). The electrophilic and nucleophilic characters were studied through Molecular Electrostatic Potential (MEP) studies. The antimicrobial studies were carried out by in-vitro method against 6 microorganisms.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.