02874nas a2200313 4500008004100000022001400041245012400055210006900179260000900248300001100257490000900268520183000277653002402107653001402131653001802145653002702163653001502190653001602205100002102221700002202242700002302264700002002287700002202307700002502329700002602354700002302380700002502403856013202428 2022 eng d a0022-286000aNovel 3-fluoro-4-morpholinoaniline derivatives: synthesis and assessment of anti-cancer activity in breast cancer cells0 aNovel 3fluoro4morpholinoaniline derivatives synthesis and assess cAPR  a1321270 v12533 aHeterocyclic morpholine compounds are well-known for their anti-cancer activity. In this study, novel morpholine and its sulfonamide derivatives were designed and synthesized as potential anti-tumor agents. The new compounds were obtained from amine derivatives via nucleophilic addition reactions, providing the desired products in 70 to 90% yield. The docking analysis was performed for all thirty-one compounds. Out of them, we represent the docking poses for compounds NAM-5 and NAM-7 as representatives. After docking analysis, compounds NAM-5 and NAM- 7 were tested for in vitro antitumor activity against breast cancer cell lines (MCF-7 and MDA-MB-231) and healthy mouse embryonic fibroblast cell line (3T3L-1). Amongst these, sulfonamide group-containing compound NAM-5 showed significant anti-proliferative activity with IC50 of 1.811 mu M and 2.143 mu M for MCF-7 and MDA-MB-231 cells, respectively. On the other hand, NAM-7 showed good anti-proliferative activity against MCF-7 (IC50 1.883 mu M) but slightly lower activity against MDA-MB-231 cells (IC50 4.688 mu M). The activity of both the compound was also tested on 3T3L-1 Cell line which showed activity similar to clinically approved anti-cancer drug doxorubicin (DOX). The cell death analysis by flow-cytometry confirmed apoptosis mediated cell death in 3T3L-1, MCF-7 and MDA-MB-231 cells when treated with the NAM-5 and NAM-7, respectively. The results demonstrated that the synthesized sulfonamide derivatives have significant potential as anti-cancer agents and have a substantial importance in cancer therapeutics with favourable safety profile. Structural analysis of docked poses of sulfonamide derivatives attempts to shed light on the structural basis of sulfonamide derivatives based anti-cancer effect. (C) 2021 Elsevier B.V. All rights reserved.10aAnticancer activity10aApoptosis10aBreast cancer10aHeterocyclic compounds10aMorpholine10aSulfonamide1 aMore, Namita, A.1 aJadhao, Nitin, L.1 aMeshram, Rohan, J.1 aTambe, Prajakta1 aSalve, Rajesh, A.1 aSabane, Jagjivan, K.1 aSawant, Sanskruti, N.1 aGajbhiye, Virendra1 aGajbhiye, Jayant, M. uhttps://library.ncl.res.in/content/novel-3-fluoro-4-morpholinoaniline-derivatives-synthesis-and-assessment-anti-cancer-activity01465nas a2200217 4500008004100000022001400041245011800055210006900173260000900242300001200251490000700263520069100270653002600961653002600987653001601013100002201029700002301051700002501074700002101099856012701120 2024 eng d a1477-052000aCopper-mediated [3+2] oxidative cyclization of oxime acetate and its utility in the formal synthesis of fentiazac0 aCoppermediated 32 oxidative cyclization of oxime acetate and its cJAN  a521-5280 v223 a

A new protocol for the direct synthesis of 2-aminothiazole has been developed from oxime acetate and readily available sodium thiocyanate using a copper catalyst. The present transformation has good functional group tolerance. Various thiazoles were smoothly synthesized in good to excellent yields. The applicability of the present method has been extended to the formal synthesis of the non-steroidal and anti-inflammatory drug, fentiazac via the Sandmeyer reaction and Suzuki coupling. The direct synthesis of 2-aminothiazole has been developed from oxime acetate using a copper catalyst. The applicability of the present method is used in the formal synthesis of fentiazac.

10aBiological evaluation10aC-H functionalization10aVinylazides1 aJadhao, Nitin, L.1 aMusale, Harish, B.1 aGajbhiye, Jayant, M.1 aHumne, Vivek, T. uhttps://library.ncl.res.in/content/copper-mediated-32-oxidative-cyclization-oxime-acetate-and-its-utility-formal-synthesis02608nas a2200157 4500008004100000245008700041210006900128260000800197300001400205490000700219520209600226100001702322700002202339700002502361856006402386 2024 eng d00aSynthesis of pyrazole and 1,3,4-oxadiazole derivatives of pharmaceutical potential0 aSynthesis of pyrazole and 134oxadiazole derivatives of pharmaceu cAug a127–1350 v223 a

Heterocyclic compounds are important molecules that serve as scaffolds or linkers for the core structure of numerous drug substances. In particular, pyrazole and 1,3,4-oxadiazole are compounds of great interest due to their comprehensive biological activities and interesting structural features. Here, we described an efficient and economical synthetic route leading to N-phenyl substituted pyrazole and 1,3,4-oxadiazole derivatives. Retrosynthetic disconnective analysis showed that the N-phenyl substituted pyrazole can be obtained from chalcone, accessible from the respective aldehyde, and acetophenone. The disubstituted 1,3,4-oxadiazole can be constructed from the respective aldehyde, which originates from pyrrole-containing compound, and formyl chloride. Based on our retrosynthetic analysis, N-phenyl substituted pyrazole was obtained by cyclization of the respective chalcone with phenylhydrazine to give pyrazoline which was in turn converted into pyrazole by oxidative aromatization. Potassium carbonate and a catalytic amount of molecular iodine were used to oxidatively cyclize semicarbazones into 1,3,4-oxadiazoles in a transition metal-free process. Novel pyrazole and 1,3,4-oxadiazoles with potential biological activity are investigated as antituberculosis, anticonvulsant, antidiabetic, anticancer, and tyrosinase inhibitory agents.

1 aKadam, Mayur1 aJadhao, Nitin, L.1 aGajbhiye, Jayant, M. uhttps://prospects.wum.edu.pl/index.php/pps/article/view/23501605nas a2200301 4500008004100000245009700041210006900138260000800207300001100215490000700226520064600233653001700879653001500896653001200911653001400923653001400937100002200951700002300973700002500996700002401021700002301045700002601068700002201094700002501116700001601141700001801157856012801175 2024 eng d00aSynthesized novel chromogenic reagent and sensor: detection and identification of dichlorvos0 aSynthesized novel chromogenic reagent and sensor detection and i cMAY ae312170 v103 a

We developed a novel chromogenic reagent and sensor by selective approach, for the detection and identification of dichlorvos, which we tested with the thin layer chromatography method. For the first time, we reported in situ-generated glyoxal as a hydrolysis product, which then interacts with isoniazid to produce a yellow-colored cyclic compound. We used well-known spectroscopic techniques to confirm the chemical identity of the final product. We initially investigated the reaction using a variety of approaches, followed by attempts to establish the reaction mechanism using Density Functional Theory by Gaussian software.

10aDFT analysis10aDichlorvos10aGloyxal10aHydrazone10aIsoniazid1 aGedam, Ashwin, D.1 aKatiya, Manish, M.1 aDhonde, Madhukar, G.1 aGanorkar, Kapil, S.1 aThakare, Vijay, J.1 aMandlik, Prashant, R.1 aJadhao, Nitin, L.1 aGajbhiye, Jayant, M.1 aKumar, Ravi1 aVaval, Nayana uhttps://library.ncl.res.in/content/synthesized-novel-chromogenic-reagent-and-sensor-detection-and-identification-dichlorvos02656nas a2200301 4500008004100000022001400041245010600055210006900161260000800230300001100238490000700249520167800256653001701934653002701951653001201978653002201990653001402012653002002026653001302046100002202059700002302081700002502104700002402129700002302153700002202176700002502198856013102223 2026 eng d a2213-292900aAqueous-mediated selective reduction of Imidacloprid: a novel method for detoxification and detection0 aAqueousmediated selective reduction of Imidacloprid a novel meth cJUN a1224620 v143 a

The extensive application of the neonicotinoid insecticide Imidacloprid has produced significant environmental concerns owing to its persistence and toxicity in aquatic ecosystems, thereby necessitating the development of straightforward and environmentally sustainable methods for its detection and detoxification. In the present study, we demonstrate for the first time that selective reducing agents can function as environmentally friendly chromogenic reagents for the detoxification and detection of Imidacloprid in contaminated water. The insecticide was treated with various reducing agents, such as aqueous solution of glucose, sodium sulphite, hydrazine hydrate, isoniazid, and vanillin, leading to the reduction of Imidacloprid and the formation of a white solid product. The reaction process provides a straightforward visual indication, suggesting the possible use of these reagents as eco-friendly chromogenic systems for pesticide monitoring. The chemical identification and structural properties of the resultant product were elucidated and confirmed by standard spectroscopy techniques. Moreover, the reaction pathway was systematically examined through experimental observations and theoretical studies. Density Functional Theory (DFT) calculations were conducted with the Gaussian program to provide a more profound understanding of the reaction pathway. The integrated experimental and computational findings offer a reliable mechanistic insight into the reduction process and highlight the potential of selective reducing agents as environmentally friendly reagents for the detection and detoxification of Imidacloprid in aquatic ecosystems.

10aDFT analysis10aExtracted Imidacloprid10aglucose10aHydrazine hydrate10aIsoniazid10aSodium sulphite10aVaniline1 aGedam, Ashwin, D.1 aKatiya, Manish, M.1 aDhonde, Madhukar, G.1 aGanorkar, Kapil, S.1 aThakare, Vijay, J.1 aJadhao, Nitin, L.1 aGajbhiye, Jayant, M. uhttps://library.ncl.res.in/content/aqueous-mediated-selective-reduction-imidacloprid-novel-method-detoxification-and-detection