Search results for "combinatorial"
showing 10 items of 1208 documents
Cover Picture: Synthesis and Biological Evaluation of a Multiantigenic Tn/TF-Containing Glycopeptide Mimic of the Tumor-Related MUC1 Glycoprotein (Ch…
2006
A 18F-labeled dibenzocyclooctyne (DBCO) derivative for copper-free click labeling of biomolecules
2016
The new prosthetic group 18F-TEG-DBCO (dibenzocyclooctyne) can be prepared within a total reaction time of 60 min including purification with an overall yield (n.d.c.) of 34 ± 5%. Copper-free click cycloadditions with an azido-cRGD, a folate-azide and two α-MSH analogue azido-peptides resulted in very high RCYs and fast reaction kinetics.
The Reactivity of 4’-Substituted Spiro[Isoindole-1,3’-pyrazoles] Derivatives: Substitution/Elimination Reactions and Access to Biaryl Derivatives
2017
This paper describes aspects of the chemistry of 4’-substituted spiro [indole-1,3’-pyrazoles]. These compounds underwent substitution and/or elimination reactions to afford some new spiro- as well as biaryl derivatives of potential pharmaceutical relevance. Mechanistic considerations are discussed as well.
Search for New Antihistaminic Compounds by Molecular Connectivity
1999
In this paper it is demonstrated that by adequate selection of topological descriptors we can make possible the prediction of different pharmacological properties, such as plasmatic concentration or sedative effect, within a group of antihistaminic drugs. Moreover, also demonstrated is the usefulness of molecular connectivity in the search of new active compounds. Examples of such compounds are 4-(l-buthylpenthyl)pyridine, N-(3-bromopropyl)-phtalimide and N-(3-chlorpropyl)-piperidin hydrochloride. All of them show antihistaminic activity values more than 30% higher than that of terfenadine, which is used as the reference drug.
Optimization of anti-proliferative activity using a screening approach with a series of bis-heterocyclic G-quadruplex ligands
2013
Abstract Using a phenotypic screening and SAR optimization approach, a phenyl-bis-oxazole derivative has been identified with anti-proliferative activity, optimized with the use of a panel of cancer cell lines. The lead compound was synthesized by means of a short and effective two-step synthesis using Pd-catalyzed direct arylation. The compound stabilizes several quadruplex DNA sequences including a human telomeric DNA and one from the promoter of the HSP90 gene, although the structure–activity relationships of the series are not obviously related to the quadruplex binding.
A modified guanosine phosphoramidite for click functionalization of RNA on the sugar edge
2012
A propargyl containing guanosine phosphoramidite was synthesized and incorporated into siRNA, enabling click-ligation with an azido fluorophore onto the nucleobase sugar edge. Duplex stability was not affected by labeling at this new site, which allowed deconvolution of the effects of label, structure and attachment site on RNAi activity.
X-ray snapshot observation of palladium-mediated aromatic bromination in a porous complex
2014
Pd-mediated aromatic bromination is intriguing to synthetic and organometallic chemists due to both its synthetic utility and, more importantly, a proposed mechanism involving an uncommon Pd(IV)/Pd(II) catalytic cycle. Here, we report an X-ray snapshot observation of a Pd reaction center during a Pd-mediated aromatic bromination in a single crystal of a porous coordination network crystalline scaffold. Upon treatment of a single crystal with N-bromosuccinimide, sequential X-ray snapshots revealed that the aryl-Pd(II)-L species embedded in the network pores was converted to the brominated aryl product through a transient aryl-Pd(II)-Br species, which is normally unobservable because of its r…
Domain-wall excitations in the two-dimensional Ising spin glass
2018
The Ising spin glass in two dimensions exhibits rich behavior with subtle differences in the scaling for different coupling distributions. We use recently developed mappings to graph-theoretic problems together with highly efficient implementations of combinatorial optimization algorithms to determine exact ground states for systems on square lattices with up to $10\,000\times 10\,000$ spins. While these mappings only work for planar graphs, for example for systems with periodic boundary conditions in at most one direction, we suggest here an iterative windowing technique that allows one to determine ground states for fully periodic samples up to sizes similar to those for the open-periodic…
Synthesis of two Conformationally Restricted Piperazine Scaffolds for Combinatorial Chemistry
2004
Piperazines are widely used as central elements in the construction of bioactive molecules. Herein, the short synthesis of two chiral 2,6-bridged piperazines possessing orthogonally stable protecting groups from readily available starting materials is described. It is suggested that these molecules may be used as conformationally restricted scaffolds for the combinatorial synthesis of drug-like compounds. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)