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Heterocyclic Compounds - Science topic

Cyclic compounds that include atoms other than carbon in their ring structure.
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of medical and environmental sciences [3–6]. It served as versatile precursors of many organic transformations in the synthesis of a number of drug- based molecules in the field of pharmaceutical fields also [7, 8]. The Coumarin-based dyes and pigments are organic fluorescent materials exhibiting unique photochemical and photo physical properties,...
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1,3,4-thiazole ring consider one of most important and common from five membered heterocycle compounds present in many from variety natural products and medical agents. The 1,3,4-thiadiazole ring exhibit variety wide spectrum from pharmacological activities such as anti-inflammatory, antimicrobial, antiepileptic, antineoplastic, analgesic, antivira...
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Dipeptidyl peptidase-IV (DPP-IV) inhibitors, often known as gliptins, have been used to treat type 2 diabetes mellitus (T2DM). They may be combined with other medications as an additional treatment or used alone as a monotherapy. In addition to insulin, sulfonylureas, thiazolidinediones, and metformin, these molecules appear as possible therapeutic...
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The molecules possessing triazine and tetrazine moieties belong to a special class of heterocyclic compounds. Both triazines and tetrazines are building blocks and have provided a new dimension to the design of biologically important organic molecules. Several of their derivatives with fine-tuned electronic properties have been identified as multif...
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Directed transformation of available natural compounds with native biological activity is a promising area of research in organic and medicinal chemistry aimed at finding effective drug substances. The number of scientific publications devoted to the transformation of natural compounds and investigations of their pharmacological properties, in part...
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The Diels–Alder reaction (DAR) is found in myriad applications in organic synthesis and medicinal chemistry for drug development, as it is the method of choice for the expedient synthesis of complex natural compounds and innovative materials including nanomaterials, graphene expanses, and polymeric nanofibers. Furthermore, the greatest focus of att...
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Shandong matcha has the quality characteristics of bright green color, seaweed-like aroma and strong, fresh and brisk taste. In order to identify the characteristic aroma components and clarify the contribution of the grinding process to the aroma of Shandong matcha. Three grades of Shandong matcha and corresponding tencha material were firstly tes...
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Reaction rate acceleration using green methods is an intriguing area of research for chemists. In this regard, water as a “green solvent” plays a crucial role in the acceleration of some organic transformations and reveals exclusive selectivity and reactivity in comparison with conventional organic solvents. In particular, multicomponent reactions...
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We present here the FT-IR, DFT computation, XRD, optical, and photophysical characterization of a heterocyclic compound with thienopyrimidine and pyran moieties. TD-DFT/DMOl³ and TD-DFT/CASTEP computations were used to study the geometry of isolated and dimer molecules and their optical behavior. The indirect (3.93 eV) and direct (3.29 eV) optical...
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Organic acid hydrazides include a vast group of organic derivatives of hydrazines containing the active functional group (-C(=O)NHNH2). Acid hydrazones were important bidentate ligands and show keto-enol (amido-iminol) tautomerism. They usually exist in keto form in the solid-state while in equilibrium between keto and enol forms in solution state....
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Abstract We describe the preparation of a series of novel spiroheterocycles, namely 1,3,4-thiadiazole derivatives possessing an indane unit. These active heterocyclic compounds are prepared starting from thiocarbohydrazide and 2-indanone via an intermediate indan-2-thiocarbohydrazone which is used to afford the corresponding 2-(1-acetylhydrazino)...
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In this work, we used the CoMSIA approach to develop a 3D-QSAR model for describing the quantitative structure-activity relationship of 51 novel compounds derived from Magnolia officinalis as potential agents against non-small cell lung cancer. The CoMSIA model developed with steric (S), electrostatic (E), hydrophobic (H), donor and acceptor hydrog...
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The X-ray structures of three simple heterocyclic compounds have been obtained for the first time. Structures of both 3-acetyloxazolidin-2-one 1 and its unsaturated analogue 3-acetyloxazolin-2-one 3 show a planar imide nitrogen with the exocyclic C=O oriented anti to the ring N–C(=O) bond and negligible intermolecular interactions, a pattern consis...
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Quinazolinone, a bicyclic compound, comprises a pyrimidine ring fused at 4´ and 8´ positions with a benzene ring and constitutes a substantial class of nitrogen-containing heterocyclic compounds on account of their frequent existence in the key fragments of many natural alkaloids and pharmaceutically active components. Consequently, tremendous effo...
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1,2,3-Thiadiazole, 1,2,3-selenadiazole, and semicarbazones that are prepared from ketones are promising moieties for lead compound development. New 1,2,3-thiadiazole (2c-4c) and 1,2,3-selenadiazole derivatives (2d–4d) were prepared from the corresponding semicarbazones (2b-4b). The semicarbazones (2b-4b) were prepared from the corresponding ketones...
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A chemically diverse set of 13 5-nitrofuran-tagged heterocyclic compounds has been prepared via the Groebke–Blackburn–Bienaymé multicomponent reaction. The testing of these compounds against the so-called ESKAPE panel of pathogens identified an apparent lead compound—N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridine-3-amine (4a)—which showed...
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2-Mercaptobenzothiazole (MBT), a heterocyclic compound, is a remarkable corrosion inhibitor for pure Cu. Among different copper-based alloys, Cu–Ni alloys are used in a wide range of applications in industries that are exposed to the corrosive environment and making them prone to corrosion. In the current study, the effect of 2-Mercaptobenzothiazol...
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To investigate the flavor changes of Fuliji roast chicken during processing and storage, the volatile organic compounds (VOCs) during processing (fresh, fried, stewed and sterilized) and storage (1 month, 2 months and 4 months) were determined by gas chromatography ion mobility spectrometry (GC-IMS). A total of 47 kinds of VOCs were identified acro...
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This book provides an update on heterocyclic compounds that serve as key components of anti-cancer agents administered in pre-clinical settings. Many of the compounds highlighted in the book are being actively investigated for the bioactive properties against a range of cancer cell lines. There is potential for heterocyclic compounds to design agen...
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The effect of new heterocyclic compounds, namely ethyl 3-phenyl-2H-benzo[b][1,4]thiazine-2-carboxylate (E-PBTC) on mild steel (MS) corrosion in 200 ppm NaCl medium was carried out using electrochemical measurements coupled with theoretical studies like as Density Functional Theory (DFT) calculation and Molecular Dynamics (MD) simulations. The obtai...
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Heterocyclic compounds are present abundantly in nature. Nitrogen containing heterocyclic compounds are an important class which made significant contributions to medicinal chemistry. Oxadiazole derivatives are scaffolds which exhibit wide range of biological applications. The title compound was synthesized and crystallizes in the orthorhombic crys...
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The nano NaY zeolite‐supported copper ‐ amine complex was prepared by post‐modification of the nano NaY zeolite with 3‐chloropropyl trimethoxysilane (CPTMS) and [2‐({3‐[(2‐aminoethyl)thio]propyl}thio)ethyl]amine followed by coordination with Cu (I) ion. Various techniques such as FT‐IR, XRD, DLS, TGA, DTA, SEM, BET, t‐plot, EDS, ICP, and elemental...
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The Prins reaction is a very convenient synthetic platform for the preparation of oxygen-containing heterocyclic compounds, especially tetrahydropyrans and tetrahydrofurans. While this reaction has been extensively used by synthetic chemists since its discovery, the last years have witnessed impressive improvements in its performance and scope and...
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Green, eco-friendly, benign and cost-effective techniques for are linchpin for the contemporaneous fine chemicals and pharmaceutical manufacturing. The conventional techniques for the dehydrogenation or oxidation involve utilization of stoichiometric amount of organic or inorganic oxidants, additives and cocatalysts leads to the generation of undes...
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Globally, vinegar is a widely used acidic condiment with unique flavors and rich nutritional value. Aroma can be used as an important factor to measure the quality of vinegar and affect consumers’ choices and preferences. Volatile components provide different aroma characteristics of vinegar and have an important impact on its sensory quality. In t...
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Cooperative dual catalysis is a powerful strategy for achieving unique reactivity by combining catalysts with orthogonal modes of action. This approach allows for independent control of the absolute and relative stereochemistry of the product. Despite its potential utility, the combination of N-heterocyclic carbene (NHC) organocatalysis and transit...
Preprint
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This study reviewed the use of cyanoacetohydrazide as versatile precursor for synthesis of some heterocyclic compounds, as it contains five different functional groups ( cyano group, No. 1, active methylene group, No. 2, carbonyl group, No. 3, amido group, No. 4 and hydrazine group, No.5 ) The reviewed reactions were classified according to the act...
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The synthesis of organic compounds depends on the various atoms in their compounds and they are linked in the rings to show various properties encompassing at minimum single atom in organic synthesis of an element apart from carbon molecule. The present study designed to synthesize the heterocyclic compound as one of the derivative of in dole based...
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In addition to vaccines, antiviral drugs are essential in order to suppress COVID-19. Although some inhibitor candidates have been determined to target the SARS-CoV-2 protein, there is still an urgent need to continue researching novel inhibitors of the SARS-CoV-2 main protease ‘Omicron P132H’, a protein that has recently been discovered. In the pr...
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The building of heterocyclic systems containing hydrogenated fragments is an important step towards the creation of biologically-active compounds with a wide spectrum of pharmacological activity. Among the numerous methods for creating such systems, a special place is occupied by processes using N-substituted maleimides as the initial substrate. Th...
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Heterogeneous palladium catalysts modified by N-heterocyclic carbenes (NHCs) are shown to be highly effective toward the direct synthesis of hydrogen peroxide (H2O2), in the absence of the promoters which are typically required to enhance both activity and selectivity. Catalytic evaluation in a batch regime demonstrated that through careful selecti...
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Diabetes mellitus (DM) is a major metabolic disorder due to hyperglycemia, which is increasing all over the world. From the last two decades, the use of synthetic agents has risen due to their major involvement in curing of chronic diseases including DM. The core skeleton of drugs has been studied such as thiazolidinone, azole, chalcone, pyrrole an...
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Heterocyclic compounds with a five-membered ring as a core, particularly those containing more than one heteroatom, have a wide spectrum of biological functions, especially in enzyme inhibition. In this study, we present the synthesis of five-membered heterocyclic isoxazole derivatives via sonication of ethyl butyrylacetate with aromatic aldehyde i...
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Introduction. The toxic and hygienic assessment of both the final product and intermediate synthesis products remains the key preventive measure to avoid intoxication of workers’ body by industrial xenobiotics in the chemical and pharmaceutical industry and in the context of a constant increase in the range of used compounds. In recent years, nit...
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Cigar tobacco residues are a special air-cured tobacco material with increasing production in domestic. In this present study, the effect of glycerol addition on the pyrolysis characteristic, kinetic behavior, and release of pyrolytic products was investigated by using thermogravimetry coupled with online FTIR and self-built infrared tubular furnac...
Chapter
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Oncological diseases pose a major challenge for modern medicine. Heterocyclic compounds play a vital role in modern medical and pharmaceutical science as most medicinal substances incorporate them. Nitrogen-containing heterocycles serve as the basis of numerous drugs and, therefore, are deeply involved in the design and synthesis of promising new t...
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Quantum chemical calculations are mainly regarded as a method for mechanistic studies in organic chemistry, whereas their use for the simulation of unknown reactions could greatly assist in reaction development. Here we report a strategy for developing multicomponent reactions on the basis of the results of computational reaction simulations. In si...
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Nitrogen-rich heterocyclic compounds are important heterocyclic substances with extensive future applications for energetic materials due to their outstanding density and excellent physicochemical properties. However, the weak intermolecular interactions of these compounds are not clear, which severely limits their widespread application. Three nit...
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The search for novel heterocyclic compounds with a natural product skeleton as potent enzyme inhibitors against clinical hits is our prime concern in this study. Here, a simple and facile two-step strategy has been designed to synthesize a series of novel coumarin-based dihydropyranochromenes (12a-12m) in a basic moiety. The synthesized compounds w...
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1,2,4-Trioxolanes, known as secondary ozonides (SOZs), are key products of ozonolysis of biogenic terpenoids. Functionalized terpenoid-derived SOZs are readily taken up into atmospheric aerosols; however, their condensed-phase fates remain unknown. Here, we report the results of a time-dependent mass spectrometric investigation into the liquid-phas...
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The triazole pesticide is an organic nitrogen-containing heterocyclic compound with a 1,2,3-Triazole ring. In order to develop a potential glucosamine-6-phosphate synthase (GlmS) inhibitor bactericide, 18 triazole-derivative compounds were synthesized efficiently. In addition, these compounds have not been reported in the literature. The structure...
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Heterocyclic compounds are one of the largest family of organic compounds with broad range of applications in medicinal chemistry and agrochemicals product. Bis-heterocycle and their families have had a significant development of new anticancer drugs according to the literature data published in recent years. Bis-heterocyclic compounds are present...
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Isoniazid is one of the main API's used in the combination treatment of tuberculosis recommended by the WHO. Urea and its derivatives are an important class of heterocyclic compounds that possess a wide range of therapeutic and pharmacological properties, while thiourea is an organosulphur compound in that it resembles urea except that the atom oxy...
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The present paper aims to synthesize and examine the adsorption of a novel heterocyclic compound of xanthene derivatives, namely 3-oxo-3H-spiro[isobenzofuran-1,9’-xanthene]-3’,6’-diylbis (3-methylbenzenesulfinate) (NAR1). This investigation was carried out by electrochemical techniques, scanning electron microscopy coupled with energy-dispersive X-...
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Breast cancer is the most common cancer in women, responsible for over half a million deaths in 2020. Almost 75% of FDA-approved drugs are mainly nitrogen- and sulfur-containing heterocyclic compounds, implying the importance of such compounds in drug discovery. Among heterocycles, thiazole-based heterocyclic compounds have demonstrated a broad ran...
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Background: Owing to the advent of pangenotypic direct-acting antiviral agents (DAAs) for hepatitis C virus (HCV) treatment, utilization of HCV-infected deceased donor kidneys with simplified genotyping/subtyping-free sofosbuvir/velpatasvir (SOF/VEL) treatment strategy is now becoming a promising strategy for expanding the organ donor pool. Metho...
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The pyran derivatives particularly, pyranopyrazole and pyranochromene are the important heterocyclic compounds, widely observed in natural product and biological systems of importance. The number of biological and medicinal properties of the heterocyclic pyran derivatives has attracted the interest of researchers and various synthetic methodologies...
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The adsorption analysis of some organic inhibitors consisting of Pyridine, 2-Methylpyridine, 3-Methylpyridine, 4-Methylpyridine and 2, 4-Dimethylpyridine onto aluminum (111) metal surface based on optimized coordination of binding on the Al (111) metal surface has been accomplished. In this research, the ONIOM approach has been performed with a thr...
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Tartaric acid was found to be a mild, efficient acid catalyst in electrophilic substitution reaction of indoles with carbonyl compounds to afford the corresponding bis(indolyl)alkanes in excellent yields. In the present work, various electrophilic substitution reactions of indoles with several aldehydes were carried out. Superiority of the present...
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Oxygen- and sulphur-based heterocycles form the core structure of many biologically active molecules as well as U.S. FDA-approved drugs. Moreover, they possess broad range of biological activities, viz. anticancer, antiinflammatory, antioxidant, antitumour, antibacterial, antiviral, antidiabetic, anticonvulsant, anti-tubercular, analgesic, anti-lei...
Preprint
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A series of pyridine compounds was prepared by using "3-(dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one" ( 14 ) as precursor. Reaction of 14 with different reagents afforded different new heterocyclic compounds. All the new compounds were characterized by spectroscopic analyses. Moreover, study of Density Function Theory (DFT) was mentioned to esta...
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Nitrogen-containing heterocyclic compounds have shown promising therapeutic effects in a variety of inflammatory and neurodegenerative diseases. Recently, terazosin (TZ), a heterocyclic compound with a quinazoline core, was found to combine with phosphoglycerol kinase 1 (Pgk1) and protect neurons by enhancing Pgk1 activity and promoting glycolysis,...
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A set of heterocyclic products was synthesized from natural (+)-camphor and semi-synthetic (−)-camphor. Then, 2-Imino-4-thiazolidinones and 2,3-dihydrothiazoles were obtained using a three-step procedure. For the synthesized compounds, their antiviral activity against the vaccinia virus and Marburg virus was studied. New promising agents active aga...
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Using the conventional method, six New Heterocyclic compounds Derived from 2-(1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)malonaldehyde. The chemical structure of the compounds were confirmed and characterized by spectroscopic techniques (FT-IR, and 1H-NMR). Their purities have been tested by thin layer chromatography (TLC). New compounds (...
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Xanthones (9H xanthen-9-one) are an important class of heterocyclic compounds containing oxygen and moiety of gamma-pirone, dense with a two-benzene ring structured, distributed widely in nature. Naturally occurring xanthones are found in micro-organisms and higher plants as secondary metabolites also in fungi and lichens. Compounds of the family C...
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Heterocyclic compounds are a class of compounds of natural origin with favorable properties and hence have major pharmaceutical significance. They have an exceptional adroitness favoring their use as diverse smart biomimetics, in addition to possessing an active pharmacophore in a complex structure. This has made them an indispensable motif in the...