Category: 1885-29-6

Du, Hong-Quan published the artcileBicyclic Bridgehead Phosphoramidite-Based Hybrid Diphosphorus Ligands: Design, Synthesis, and Application in Catalytic Asymmetric Hydrogenation, COA of Formula: C7H6N2, the main research area is bicyclic bridgehead phosphoramidite hybrid diphosphorus ligand preparation; arylethyl acetanilide preparation enantioselective; vinylanilide asym hydrogenation rhodium catalyst.

A strategy for chiral ligand design has been developed that allows for incorporation of an achiral bicyclic bridgehead phosphoramidite to generate a class of hybrid diphosphorus ligands for high activity and asym. control. Using this concept, a series of chiral phosphine-phosphoramidite ligands bearing the sole chirality at the ligand backbone have been prepared and successfully employed in the Rh-catalyzed asym. hydrogenation of 2-vinylanilides for the synthesis of optically active anilines bearing an ortho-tertiary benzylic stereocenter.

Organic Letters published new progress about Acetanilides Role: SPN (Synthetic Preparation), PREP (Preparation) (2-(1-arylethyl)). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, COA of Formula: C7H6N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Chen, Ying-Chu published the artcileC-N Coupling of DNA-Conjugated (Hetero)aryl Bromides and Chlorides for DNA-Encoded Chemical Library Synthesis, Quality Control of 1885-29-6, the main research area is DNA encoded heteroaryl amide library synthesis.

DNA-encoded chem. library (DECL) screens are a rapid and economical tool to identify chem. starting points for drug discovery. As a robust transformation for drug discovery, palladium-catalyzed C-N coupling is a valuable synthetic method for the construction of DECL chem. matter; however, currently disclosed methods have only been demonstrated on DNA-attached (hetero)aromatic iodide and bromide electrophiles. We developed conditions utilizing an N-heterocyclic carbene-palladium catalyst that extends this reaction to the coupling of DNA-conjugated (hetero)aromatic chlorides with (hetero)aromatic and select aliphatic amine nucleophiles. In addition, we evaluated steric and electronic effects within this catalyst series, carried out a large substrate scope study on two representative (hetero)aryl bromides, and applied this newly developed method within the construction of a 63 million-membered DECL.

Bioconjugate Chemistry published new progress about Anilines Role: CMB (Combinatorial Study), RCT (Reactant), RACT (Reactant or Reagent). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Quality Control of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Mou, Zhongyu published the artcileMachine learning-based prediction of enzyme substrate scope: Application to bacterial nitrilases, SDS of cas: 1885-29-6, the main research area is nitrilase PMI26 1B15 3 hydroxyglutaronitrile mandelonitrile cinnamonitrile machine learning; enzyme specificity; functional annotation; machine learning; modular approach; substrate scope.

Predicting the range of substrates accepted by an enzyme from its amino acid sequence is challenging. Although sequence- and structure-based annotation approaches are often accurate for predicting broad categories of substrate specificity, they generally cannot predict which specific mols. will be accepted as substrates for a given enzyme, particularly within a class of closely related mols. Combining targeted exptl. activity data with structural modeling, ligand docking, and physicochem. properties of proteins and ligands with various machine learning models provides complementary information that can lead to accurate predictions of substrate scope for related enzymes. Here we describe such an approach that can predict the substrate scope of bacterial nitrilases, which catalyze the hydrolysis of nitrile compounds to the corresponding carboxylic acids and ammonia. Each of the four machine learning models (logistic regression, random forest, gradient-boosted decision trees, and support vector machines) performed similarly (average ROC = 0.9, average accuracy = ∼82%) for predicting substrate scope for this dataset, although random forest offers some advantages. This approach is intended to be highly modular with respect to physicochem. property calculations and software used for structural modeling and docking.

Proteins: Structure, Function, and Bioinformatics published new progress about Carboxylic acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, SDS of cas: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Liang, Xin published the artcileVisible-light-driven electron donor-acceptor complex induced sulfonylation of diazonium salts with sulfinates, Computed Properties of 1885-29-6, the main research area is aryl sulfone preparation green chem visible light; diazonium tetrafluoroborate sulfonylation sulfinate electron donor acceptor complex.

This work reports an efficient sulfonylation reaction enabled by a visible-light-induced radical coupling reaction between phenyl/heterocyclic diazonium salts and sulfinates. Mechanistic experiments disclosed the formation of a versatile electron donor-acceptor (EDA) complex. This transformation is characterized by an easy operational procedure under mild conditions which avoids transition metals, ligands, catalysts, and oxidants.

Green Chemistry published new progress about Aromatic compounds, sulfones Role: SPN (Synthetic Preparation), PREP (Preparation). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Computed Properties of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Xiao, Xiao published the artcileHHQ-4, a quinoline derivate, preferentially inhibits proliferation of glucose-deprived breast cancer cells as a GRP78 down-regulator, Related Products of nitriles-buliding-blocks, the main research area is breast cancer cell proliferation HHQ4 anticancer agent GRP78; Breast cancer cells; Glucose deprivation; Glucose-regulated protein 78; HHQ-4; Unfolded protein response.

As a central regulator for endoplasmic reticulum (ER) stress, glucose-regulated protein 78 (GRP78), controls the activation of ER-transmembrane signaling mechanisms by inducing unfolded protein response (UPR) in response to ER stress. Based on this premise, we investigated the mol. mechanisms of a synthetic quinolone derivative, 2-hexyl-3-methyl-4(1H)-quinolinone (HHQ-4), in regulating the GRP78 expression and UPR transcriptional program under glucose deprivation or 2-deoxy-D-glucose (2-DG)-stressed conditions. We found that HHQ-4 suppressed the transcriptional and translational expression of GRP78 gene in glucose-deprived breast cancer cells. Constitutive expression of GRP78 completely prevented breast cancer cells from HHQ-4-mediated proliferation inhibition during glucose starvation, stressing the important role of suppression of the GRP78 in HHQ-4-mediated cell proliferation inhibition. HHQ-4 was also found to exert inhibitory activity against breast cancer cell proliferation by suppressing three survival arms of the UPR, including PERK/eIF2a/ATF4, IRE1/XBP1, and ATF6, which orchestrate an intricate signaling network to modulate GRP78 gene transcription under glucose-deprived stress. Our findings show HHQ-4 could be a promising candidate, alone or in combination with 2-DG, for selectively inhibiting breast cancer cell proliferation by down-regulating the transcription and expression of GRP78 under stressful microenvironments.

Toxicology and Applied Pharmacology published new progress about Activating transcription factor 6α Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Related Products of nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Sojka, Martin published the artcileBifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is platinum phosphinoamine chloro complex preparation conformational energy DFT; crystal structure platinum phosphinoamine chloro.

In this work we report an investigation of the influence of bifurcated intramol. hydrogen bonds on conformations of platinum(II) complexes with phosphinoamine ligands. The series of new cis and trans-PtCl2L2 complexes with phosphinoamine ligands was synthesized and characterized by 1H, 31P, 195Pt NMR, IR, and mol. structures of 8 complexes were determined by X-ray crystallog. The hydrogen bonds are observed between NH···ClPt and NH···R (R = COOCH3, C(O)CH3, F, CN) moieties of the ligands and Pt core. The structural data from X-ray diffraction are linked to calculated conformational energies from d. functional theory (DFT) and topol. anal. results obtained from quantum theory of atoms in mols. (QTAIM) calculations The most prominent NH···ClPt interactions are found in the cis complexes with para substituted phosphinoamine ligands, which show delocalization indexes (DI) up to 0.09. The ortho substituted phosphinoamine ligands decrease the DI values down to zero for C(O)OCH3 and C(O)CH3 moieties.

Polyhedron published new progress about phosphinoamines). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Lesuisse, Dominique published the artcileDevelopment of a novel NURR1/NOT agonist from hit to lead and candidate for the potential treatment of Parkinson’s disease, Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is Parkinson’s disease NURR1 NOT agonist hits HTS SAR neuroprotective.

In the course of a program aimed at identifying Nurr1/NOT agonists for potential treatment of Parkinson’s disease, a few hits from high throughput screening were identified and characterized. A combined optimization pointed to a very narrow and stringent structure activity relationship. A comprehensive program of optimization led to a potent and safe candidate drug displaying neuroprotective and anti-inflammatory activity in several in vitro and in vivo models.

Bioorganic & Medicinal Chemistry Letters published new progress about Anti-inflammatory agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Safety of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhang, Cuicui published the artcileBaicalein triazole prevents respiratory tract infection by RSV through suppression of oxidative damage, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is Secutellaria baicalein triazole respiratory syncytial virus infection antiviral; Anti-inflammatory; Bronchiolitis; Pneumonia; Tumor necrosis.

Baicalein, an isolate of secutellaria baicalensis is known for its anti-inflammatory activity. In the present study, 12-triazole derivatives of baicalein I (R = 2-OH, 4-Me, 2-Br, etc.) were synthesized and evaluated against RSV infected BEAS-2B cells in vitro and in mice model in vivo. The preventive effect of most active compound I (R = 2-CF3) against RSV infection was studied in detail. The compound I (R = 2-CF3) treatment increased IFN-β1 expression in BEAS-2B cells infected with RSV. In BEAS-2B cells treatment with compound I (R = 2-CF3) inhibited RSV-induced secretion of interleukin-6 and -8 cytokines. It decreased RSV-induced nitric oxide & malondialdehyde production and inhibited the RSV-mediated activation of NF-κB, COX-2, Stat3 and MAPK. RT-qPCR showed that compound I (R = 2-CF3) treatment of the RSV-infected mice significantly (P < 0.05) decreased viral load through reduction in the viral replication. In the mice model of RSV-infection compound I (R = 2-CF3) treatment decreased interleukin-6, -8 and tumor necrosis factor-a expression. In summary, compound I (R = 2-CF3) inhibits RSV-infection and prevents pulmonary airway inflammation through the activation of IFN signalling pathway. Microbial Pathogenesis published new progress about Human cell line BEAS-2B. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Jiao, Jing published the artcileIodine-Promoted Formal [5+1] Annulation of 2-Vinylanilines and Thiurams: A Facile Approach to the Synthesis of 2-Aminoquinolines, Application In Synthesis of 1885-29-6, the main research area is aryl dialkylamino quinoline preparation; vinylaniline tetraalkylthiuram disulfide iodine additive cycloaddition copper triflate catalyst.

A [5+1]-cyclization of 2-vinylanilines RC6H4C(=CH2)(2-NH2C6H3R1) [R = H, 2-Me, 3-Cl, 4-F, etc.; R1 = H, 5-Cl, 4-Me, 3-Et, etc.], 2-(1-naphthalen-1-yl-vinyl)-phenylamine, 2-(1-naphthalen-2-yl-vinyl)-phenylamine with tetraalkylthiuram disulfides (R2)2NC(S)SSC(S)N(R2)2 [R2 = Me, Et, n-Bu] in the presence of iodine and copper(II) triflate was described. This reaction directly employs readily available and low-cost thiuram as both a C1 synthon and a nitrogen source, providing a facile approach to one-step syntheses of a variety of 2-aminoquinolines I [R3 = H, 6-Cl, 7-Me, 8-Et, etc.], N,N-dimethyl-4-(naphthalen-1-yl)quinolin-2-amine, N,N-dimethyl-4-(naphthalen-2-yl)quinolin-2-amine in good to excellent yields.

Synlett published new progress about Anilines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (vinyl). 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Application In Synthesis of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Dai, Bencai published the artcileSustainable and recyclable palladium nanoparticles-catalyzed reduction of nitroaromatics in water/glycerol at room temperature, Application of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is palladium nanoparticle nitroarom catalytic reduction water glycerol temperature.

Palladium nanoparticles with unique catalytic activity and high stability are synthesized. These nanoparticles exhibit excellent catalytic reduction activity for nitroaroms. in green solvents in the presence of H2 at ambient pressure and temperature The prominent advantages of this nanotechnol. include low consumption of catalyst, excellent chemoselectivity, high reusability of the catalyst, and environmentally green solvents.

Journal of Chemical Research published new progress about Catalysis. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Application of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts