87150-13-8 Archives - Nitriles-buliding-blocks

Messick, Troy E.’s team published research in Molecules in 2020 | CAS: 87150-13-8

Molecules published new progress about Affinity. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, Product Details of C10H6N2O.

Messick, Troy E. published the artcileBiophysical screens identify fragments that bind to the viral DNA-binding proteins EBNA1 and LANA, Product Details of C10H6N2O, the main research area is DNA EBNA1 LANA protein ligand interaction binding fragment NMR; biophys screen surface plasmon resonance saturation transfer difference; Epstein–Barr nuclear antigen 1; Epstein–Barr virus; Kaposi’s sarcoma associated herpesvirus (KSHV); fragment-based lead discovery; latency-associated nuclear antigen; protein–DNA interaction; saturation transfer difference-nuclear magnetic resonance; surface plasmon resonance.

The human gamma-herpesviruses Epstein-Barr virus (EBV) (HHV-4) and Kaposi’s sarcoma-associated herpesvirus (KSHV) (HHV-8) are responsible for a number of diseases, including various types of cancer. Epstein-Barr nuclear antigen 1 (EBNA1) from EBV and latency-associated nuclear antigen (LANA) from KSHV are viral-encoded DNA-binding proteins that are essential for the replication and maintenance of their resp. viral genomes during latent, oncogenic infection. As such, EBNA1 and LANA are attractive targets for the development of small-mol. inhibitors. To this end, we performed a biophys. screen of EBNA1 and LANA using a fragment library by saturation transfer difference (STD)-NMR spectroscopy and surface plasmon resonance (SPR). We identified and validated a number of unique fragment hits that bind to EBNA1 or LANA. We also determined the high-resolution crystal structure of one fragment bound to EBNA1. Results from this screening cascade provide new chem. starting points for the further development of potent inhibitors for this class of viral proteins.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Barrett, Anthony G. M.’s team published research in Organic Letters in 2001-01-25 | CAS: 87150-13-8

Organic Letters published new progress about Cyclization. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, Name: 4-(5-Oxazolyl)benzonitrile.

Barrett, Anthony G. M. published the artcileOxazole synthesis with minimal purification: synthesis and application of a ROMPgel Tosmic reagent, Name: 4-(5-Oxazolyl)benzonitrile, the main research area is oxazole preparation ROMPgel Tosmic reagent.

The synthesis of ring opening metathesis, polymer-supported Tosmic reagent I, prepared in 7 steps from 4-bromothiophenol, is described. This reagent was utilized in the conversion of aldehydes to a small library of oxazoles in good yields and purities. Thus, reacting PhCHO with I gave oxazole II in 51% yield and 90% purity.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Barrett, Anthony G. M.’s team published research in Organic Letters in 2001-01-25 | CAS: 87150-13-8

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Hirashima, Akinori’s team published research in Chemistry & Biodiversity in 2004-11-29 | CAS: 87150-13-8

Chemistry & Biodiversity published new progress about Conformation. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, Computed Properties of 87150-13-8.

Hirashima, Akinori published the artcileThe pheromone production of female Plodia interpunctella is inhibited by tyraminergic antagonists, Computed Properties of 87150-13-8, the main research area is sex pheromone production inhibition tyraminergic antagonist moth; Plodia sex pheromone production inhibition tyraminergic antagonist.

Several compounds were found to suppress the calling behavior and in vitro pheromone biosynthesis of the Indian meal moth, Plodia interpunctella. The compounds were screened by means of a calling-behavior bioassay with female P. interpunctella. Five derivatives with activities in the nanomolar range were identified, in order of decreasing pheromonostatic activity: 4-hydroxybenzaldehyde semicarbazone > 5-(4-methoxyphenyl)-1,3-oxazole > 5-[4-(tert-butyl)phenyl]-1,3-oxazole > 5-(3-methoxyphenyl)-1,3-oxazole > 5-(4-cyanophenyl)-1,3-oxazole. These compounds also showed in vitro inhibitory activity in intracellular de novo pheromone biosynthesis, as determined with isolated pheromone-gland preparations that incorporated [1-14C]sodium acetate in the presence of the so-called pheromone-biosynthesis-activating neuropeptide (PBAN). The non-additive effect of the inhibitor with antagonist (yohimbine) for the tyramine (TA) receptor suggests that it could be a tyraminergic antagonist. Three-dimensional (3D) computer models were built from a set of compounds Among the common-featured models generated by the program Catalyst/HipHop, aromatic-ring (AR) and H-bond-acceptor-lipophilic (HBA1) features were considered to be essential for inhibitory activity in the calling behavior and in vitro pheromone biosynthesis. Active compounds, including yohimbine, mapped well onto all the AR and HBA1 features of the hypothesis. Less-active compounds were shown to be unable to achieve an energetically favorable conformation, consistent with our 3D common-feature pharmacophore models. The present hypothesis demonstrates that calling behavior and PBAN-stimulated incorporation of radioactivity are inhibited by tyraminergic antagonists.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Dias, David M.’s team published research in ACS Medicinal Chemistry Letters in 2014-01-09 | CAS: 87150-13-8

ACS Medicinal Chemistry Letters published new progress about Drug screening. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, Safety of 4-(5-Oxazolyl)benzonitrile.

Dias, David M. published the artcileIs NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?, Safety of 4-(5-Oxazolyl)benzonitrile, the main research area is NMR screening protein; NMR fragment screening; binding affinity; druggability; protein−protein interactions.

Modulation of protein-protein interactions (PPIs) with small mols. has been hampered by a lack of lucid methods capable of reliably identifying high-quality hits. In fragment screening, the low ligand efficiencies associated with PPI target sites pose significant challenges to fragment binding detection. Here, we investigate the requirements for ligand-based NMR techniques to detect rule-of-three compliant fragments that form part of known high-affinity inhibitors of the PPI between the von Hippel-Lindau protein and the alpha subunit of hypoxia-inducible factor 1 (pVHL:HIF-1α). Careful triaging allowed rescuing weak but specific binding of fragments that would otherwise escape detection at this PPI. Further structural information provided by saturation transfer difference (STD) group epitope mapping, protein-based NMR, competitive isothermal titration calorimetry (ITC), and X-ray crystallog. confirmed the binding mode of the rescued fragments. Our findings have important implications for PPI druggability assessment by fragment screening as they reveal an accessible threshold for fragment detection and validation.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Martin, Rainer E.’s team published research in Organic & Biomolecular Chemistry in 2016 | CAS: 87150-13-8

Organic & Biomolecular Chemistry published new progress about Flow. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, Recommanded Product: 4-(5-Oxazolyl)benzonitrile.

Martin, Rainer E. published the artcileSynthesis of annulated pyridines as inhibitors of aldosterone synthase (CYP11B2), Recommanded Product: 4-(5-Oxazolyl)benzonitrile, the main research area is cyclopentapyridine cyclohexapyridine preparation SAR aldosterone synthase inhibitory; continuous flow Kondrateva reaction.

A series of cyclopenta[c]pyridine aldosterone synthase (AS) inhibitors were conveniently accessed using batch or continuous flow Kondrat’eva reactions. Preparation of the analogous cyclohexa[c]pyridines, e. g., I, led to the identification of a potent and more selective AS inhibitor. The structure-activity-relationship (SAR) in this new series was rationalized using binding mode models in the crystal structure of AS.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Messick, Troy E.’s team published research in Molecules in 2020 | CAS: 87150-13-8

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Galdeano, Carles’s team published research in Journal of Medicinal Chemistry in 2014-10-23 | CAS: 87150-13-8

Journal of Medicinal Chemistry published new progress about Crystal structure. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, Application In Synthesis of 87150-13-8.

Galdeano, Carles published the artcileStructure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities, Application In Synthesis of 87150-13-8, the main research area is von Hippel Lindau protein ubiquitin ligase hypoxia inducible factor; crystal structure complex thiasole preparation.

E3 ubiquitin ligases are attractive targets in the ubiquitin-proteasome system, however, the development of small-mol. ligands has been rewarded with limited success. The von Hippel-Lindau protein (pVHL) is the substrate recognition subunit of the VHL E3 ligase that targets HIF-1α for degradation The authors recently reported inhibitors of the pVHL:HIF-1α interaction, however they exhibited moderate potency. Herein, the authors report the design and optimization, guided by x-ray crystal structures, of a ligand series with nanomolar binding affinities.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kajiwara, Rikuo’s team published research in Organic Letters in 2021-07-16 | CAS: 87150-13-8

Organic Letters published new progress about Coupling reaction. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, Quality Control of 87150-13-8.

Kajiwara, Rikuo published the artcileBipyridine-Type Bidentate Auxiliary-Enabled Copper-Mediated C-H/C-H Biaryl Coupling of Phenols and 1,3-Azoles, Quality Control of 87150-13-8, the main research area is heterobiaryl preparation; phenol azole coupling bipyridine type bidentate auxiliary copper.

A copper-mediated dehydrogenative C-H/C-H biaryl coupling of phenols and 1,3-azoles has been developed. The key to its success is the introduction of a bipyridine-type bidentate auxiliary, 4,4′-di(tert-butyl)-2,2′-bipyridine, on the phenol oxygen, which is readily prepared and easily attachable, detachable, and recyclable. The reaction proceeds smoothly in the presence of copper salt alone to form the corresponding phenol-azole heterobiaryls, which are prevalent motifs in functional mols. such as excited-state intramol. proton transfer materials.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Yu, Tian-Yang’s team published research in Asian Journal of Organic Chemistry in 2019 | CAS: 87150-13-8

Asian Journal of Organic Chemistry published new progress about C-C bond activation. 87150-13-8 belongs to class nitriles-buliding-blocks, name is 4-(5-Oxazolyl)benzonitrile, and the molecular formula is C10H6N2O, COA of Formula: C10H6N2O.

Yu, Tian-Yang published the artcileDirect C2-Heteroarylation of Indoles by Rhodium-Catalyzed C-C Bond Cleavage of Secondary Alcohols, COA of Formula: C10H6N2O, the main research area is biheteroaryl preparation; indole secondary alc heteroarylation carbon bond cleavage rhodium catalyst.

A rhodium-catalyzed direct heteroarylation of indoles by cleavage of an inert C-C bond of alcs. is reported. This catalytic system exhibits high reactivity and tolerates various functional groups. This reaction provides a tool for the rapid construction of biheteroaryls without pre-activation of the starting materials. Control experiments were conducted to determine a possible mechanism. This reaction makes a significant contribution to the field of C-C bond activation of alcs.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts