Comparative molecular field analysis and molecular dynamics studies of the dopamine D2 receptor antagonists without a protonatable nitrogen atom
Sign Up to like & getrecommendations! Published in 2018 at "Medicinal Chemistry Research"
DOI: 10.1007/s00044-018-2137-5
Abstract: AbstractThe dopaminergic hypothesis of schizophrenia is the main concept explaining the direct reasons of schizophrenia and the effectiveness of current antipsychotics. All antipsychotics present on the market are potent dopamine D2 receptor antagonists or partial… read more here.
Keywords: receptor; nitrogen atom; receptor antagonists; dopamine receptor ... See more keywords
Strategies for the synthesis of HBGl3, a glutamic acid derived ligand bearing phenolic and azacarboxylate donor groups at the nitrogen atom.
Sign Up to like & getrecommendations! Published in 2017 at "Tetrahedron"
DOI: 10.1016/j.tet.2017.09.032
Abstract: The development of a route applicable to the preparation of acyclic glutamic acid-based chelating ligands bearing two different auxiliary donor groups linked to the nitrogen atom by methylene spacers is described and applied to the… read more here.
Keywords: nitrogen atom; strategies synthesis; glutamic acid; donor groups ... See more keywords
The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.6b01807
Abstract: There is a continued desire in biomedical research to reduce the number and duration of design cycles required to optimize lead compounds into high-quality chemical probes or safe and efficacious drug candidates. The insightful application… read more here.
Keywords: necessary nitrogen; design; high impact; impact design ... See more keywords
Development of Novel δ Opioid Receptor Inverse Agonists without a Basic Nitrogen Atom and Their Antitussive Effects in Mice.
Sign Up to like & getrecommendations! Published in 2019 at "ACS chemical neuroscience"
DOI: 10.1021/acschemneuro.9b00368
Abstract: Our previous results showed that NTI derivatives with certain types of electron-withdrawing groups as an N-substituent showed δ opioid receptor (DOR) inverse agonistic activities. We therefore synthesized N-acylated NTI de-rivatives 3a-e and observed that N-benzoyl… read more here.
Keywords: opioid receptor; inverse agonists; basic nitrogen; dor ... See more keywords
Experimental and Theoretical Study on the Gas-Phase Reactions of Germyl Radicals with NF3: Homolytic Substitution at the Nitrogen Atom vs Fluorine Abstraction
Sign Up to like & getrecommendations! Published in 2020 at "ACS Omega"
DOI: 10.1021/acsomega.9b03729
Abstract: In this paper, we report on the unexplored reaction mechanisms of bimolecular homolytic substitution (SH2) between GeH3 radicals and the nitrogen atom of NF3. The SH2 reactions are studied both experimentally and theoretically with ab… read more here.
Keywords: geh3; nitrogen atom; reaction; geh3 nf2 ... See more keywords
Cobalt-Catalyzed Nitrogen Atom Insertion in Arylcycloalkenes.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c10570
Abstract: Developing strategies enabling the modification of underlying molecular frameworks facilitates access to underexplored chemical spaces. Skeletal editing is an emerging technology for late-stage diversification of bioactive molecules. However, the current state of this knowledge remains… read more here.
Keywords: cobalt catalyzed; methodology; insertion arylcycloalkenes; catalyzed nitrogen ... See more keywords
Cleavage of an Aromatic C-C Bond in Ferrocene by Insertion of an Iridium Nitrido Nitrogen Atom.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.3c02781
Abstract: The intermolecular cleavage of C-C bonds is a rare event. Herein, we report on a late transition-metal terminal nitrido complex, which upon oxidation undergoes insertion of the nitrido nitrogen atom into the aromatic C-C bond… read more here.
Keywords: cleavage; bond ferrocene; aromatic bond; nitrido ... See more keywords
Nitrogen atom insertion into indenes to access isoquinolines
Sign Up to like & getrecommendations! Published in 2023 at "Chemical Science"
DOI: 10.1039/d2sc06952k
Abstract: We report a convenient protocol for a nitrogen atom insertion into indenes to afford isoquinolines. The reaction uses a combination of commercially available phenyliodine(iii) diacetate (PIDA) and ammonium carbamate as the nitrogen source to furnish… read more here.
Keywords: access isoquinolines; indenes access; nitrogen atom; atom insertion ... See more keywords
Tunneling Quantum Dynamics in Ammonia
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms22158282
Abstract: Ammonia is a well-known example of a two-state system and must be described in quantum-mechanical terms. In this article, we will explain the tunneling phenomenon that occurs in ammonia molecules from the perspective of trajectory-based… read more here.
Keywords: quantum; quantum trajectories; dynamics ammonia; nitrogen atom ... See more keywords