Results 31 to 40 of about 6,176 (169)

Potassium (3-Methyl-2-oxido-1,2,5-oxadiazol-4-yl)dinitromethanide

Molbank, 2021
Furoxan derivatives enriched with explosophoric functionalities are promising compounds in the preparation of novel energetic materials. Herein, a previously unknown potassium (3-methyl-2-oxido-1,2,5-oxadiazol-4-yl)dinitromethanide (also referred to as ...
Egor S. Zhilin, Dmitry B. Meerov, Leonid L. Fershtat   +2 more
doaj   +1 more source

DFT Study of Regio- and Stereoselective 13DC Reaction between Diazopropane and Substituted Chalcone Derivatives: Molecular Docking of Novel Pyrazole Derivatives as Anti-Alzheimer’s Agents

Molecules, 2023
In the present work, a combination of experimental and density functional theory (DFT) investigation of the (3+2) cycloaddition reactions of diazopropane with chalcone derivatives was reported. All calculations were performed using several DFT approaches
Sadeq M. Al-Hazmy, Mohamed Oussama Zouaghi, Nasser Amri, Youssef Arfaoui, Ibrahim A. Alhagri, Naceur Hamdi   +5 more
doaj   +1 more source

Embedded Morgan Fingerprints for More Efficient Molecular Property Predictions With Machine Learning

Advanced Intelligent Discovery, EarlyView.
High dimensionality of Morgan fingerprints causes overfitting and slow training. Embedded Morgan Fingerprint (eMFP) compresses this encoding while keeping key structural information intact. Tested on five regression models across three databases for HOMO–LUMO gap prediction, eMFP outperforms standard fingerprints, training faster on large, high ...
Emilio Nuñez‐Andrade, Isaac Vidal‐Daza, Rafael Gómez‐Bombarelli, James W. Ryan, Francisco J. Martin‐Martinez   +4 more
wiley   +1 more source

Biologically oriented synthesis of medicines (BIODS) based on heterylpoxid 2,5- disubstituted 1,3,4-oxadiazoles (Part 1)

Aktualʹnì Pitannâ Farmacevtičnoï ì Medičnoï Nauki ta Praktiki, 2020
At the present stage of development of medical chemistry, many basic synthetic approaches to the synthesis of 1,3,4-oxadiazole structures are known, which are focused mainly on the principles of combinatorial chemistry with a wide range of biological ...
Yu. V. Karpenko, O. I. Panasenko, Ye. H. Knysh   +2 more
doaj   +1 more source

Die Aza‐Büchner–Curtius–Schlotterbeck‐Reaktion: Selektive Bildung Quartärer Kohlenstoffzentren

Angewandte Chemie, EarlyView.
Wir stellen die Aza‐Büchner–Curtius–Schlotterbeck‐(ABCS)‐Reaktion vor: eine milde, katalysatorfreie Methode zur Homologierung von Aryliminen. Im Gegensatz zum traditionellen BCS‐Mechanismus durchläuft das Diazo‐Intermediat eine selektive C─C‐Insertion zur Bildung eines quartären Zentrums.
Simon O. Angerer, Vincent George, Aryaman Pattanik, Gaia Carpentiero, Tereza Morcinková, Julia Rehbein, Burkhard König   +6 more
wiley   +1 more source

2:1 Adducts Arising from Reactions between Benzynes and 1,3,4-Oxadiazoles

2:1 adducts arise from the reaction of 2,5-diaryl-1,3,4-oxadiazoles and benzynes generated from the hexadehydro-Diels–Alder (HDDA) reaction. Density functional theory computations support a mechanistic manifold that includes a concerted SNAr process ...
Paul V. Kevorkian (10522165), Alexander L. Guzman (11892176), Thomas R. Hoye (1313214)   +2 more
core   +2 more sources

Novel 1,3,4-Oxadiazole Induces Anticancer Activity by Targeting NF-κB in Hepatocellular Carcinoma Cells

Frontiers in Oncology, 2018
Aberrant activation of NF-κB is linked with the progression of human malignancies including hepatocellular carcinoma (HCC), and blockade of NF-κB signaling could be a potential target in the treatment of several cancers.
Chakrabhavi Dhananjaya Mohan, Nirvanappa C. Anilkumar, Shobith Rangappa, Muthu K. Shanmugam, Srishti Mishra, Arunachalam Chinnathambi, Sulaiman Ali Alharbi, Atanu Bhattacharjee, Gautam Sethi, Alan Prem Kumar, Alan Prem Kumar, Basappa, Basappa, Kanchugarakoppal S. Rangappa   +13 more
doaj   +1 more source

Click‐Spaltung quartärer Anilinium‐Tetrazine ermöglicht Kaskadenaufbau multifunktioneller biomolekularer Gerüste

Angewandte Chemie, EarlyView.
Die Click‐Chemie hat sich von dem Aufbau kovalenter Bindungen hin zum Spalten von Bindungen weiterentwickelt. Hier wird über einen Kaskaden‐Aufbau berichtet, der diese Verfahren kombiniert, um multifunktionale biomolekulare Gerüste in einer modularen Ein‐Topf‐Reaktion aufzubauen.
Markus Staudt, Christian B. M. Poulie, Andreas Löffler, Peter R. Meinig, Riley J. Deutsch‐Williams, Barbara Herrmann, Ralph Weissleder, Hannes Mikula, Jonathan C. T. Carlson, Matthias M. Herth   +9 more
wiley   +1 more source

A Modular Synthesis of C5‐Sulfenyl Thiazoles via an Intermolecular Pummerer Rearrangement: An Underexplored Scaffold for Medicinal Chemistry

Angewandte Chemie, Volume 138, Issue 41, 5 October 2026.
Modular access to underexplored C5‐sulfenyl thiazoles via an intermolecular Pummerer rearrangement is reported. The methodology exhibits a broad functional group tolerance enabling the seamless design of trisubstituted thiazole cores bearing a sulfur handle for further elaboration.
Joe L. Smy, Theo C. Webb, Barnaby W. Greenland, S. Mark Roe, John Spencer, Storm Hassell‐Hart   +5 more
wiley   +2 more sources

Synthesis and photochemistry of di-substituted-1,2,4-oxadiazoles

, 2000
Four di-substituted-1,2,4-oxadiazoles were synthesized. They were tested by NMR, UV spectroscopy, and GC trace. The oxadiazoles were irradiated with 254nm and 300nm light to test their photoreactivity and attempt to prove benzonitrile was a ...
Adams, Alisha Marie
core   +3 more sources