Day: October 14, 2022

Bongard, Jens; Schmitz, Anna Laura; Wolf, Alex; Zischinsky, Gunther; Pieren, Michel; Schellhorn, Birgit; Bravo-Rodriguez, Kenny; Schillinger, Jasmin; Koch, Uwe; Nussbaumer, Peter; Klebl, Bert; Steinmann, Joerg; Buer, Jan; Sanchez-Garcia, Elsa; Ehrmann, Michael; Kaiser, Markus published the artcile< Chemical Validation of DegS As a Target for the Development of Antibiotics with a Novel Mode of Action>, Computed Properties of 54346-19-9, the main research area is DegS drug target antibiotic preparation; antibiotics; drug discovery; small molecules; synergism; synthesis.

Despite the availability of hundreds of antibiotic drugs, infectious diseases continue to remain one of the most notorious health issues. In addition, the disparity between the spread of multidrug-resistant pathogens and the development of novel classes of antibiotics exemplify an important unmet medical need that can only be addressed by identifying novel targets. Herein we demonstrate, by the development of the first in vivo active DegS inhibitors based on a pyrazolo[1,5-a]-1,3,5-triazine scaffold, that the serine protease DegS and the cell envelope stress-response pathway σE represent a target for generating antibiotics with a novel mode of action. Moreover, DegS inhibition is synergistic with well-established membrane-perturbing antibiotics, thereby opening promising avenues for rational antibiotic drug design.

ChemMedChem published new progress about Antibacterial agent resistance. 54346-19-9 belongs to class pyrazoles-derivatives, and the molecular formula is C6H5ClN4S, Computed Properties of 54346-19-9.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Marin-Luna, Marta; Claramunt, Rosa M.; Nieto, Carla I.; Alkorta, Ibon; Elguero, Jose; Reviriego, Felipe published the artcile< Theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles>, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole, the main research area is solid state NMR polymorphism crystal structure azoles benzazoles; GIPAW; NMR; azoles; benzazoles; polymorphism; solid state; tautomerism.

The NMR chem. shifts of two azoles and one benzazole whose crystal structures present polymorphism have been computed using the GIPAW approach. 15N and 13C nuclei have been studied. Statistical anal. of the computed 13C and 15N chem. shifts indicates that the GIPAW chem. shifts reproduce with a high degree of accuracy those exptl. reported. This methodol. can be used to identify other polymorphic crystal structures.

Magnetic Resonance in Chemistry published new progress about Bond angle, torsional. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Cabildo, Pilar; Claramunt, Rosa Maria published the artcile< Carbon-13 NMR chemical shifts of N-unsubstituted and N-methylpyrazole derivatives>, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole, the main research area is NMR pyrazole derivative; methylpyrazole derivative NMR.

13C shielding data for 100 derivatives of pyrazole are reported. These include Me, Et, Pr, tert-Bu, Ph, hydroxymethyl, carboxyl, ethoxycarbonyl, cyano, amino, hydrazino, nitro, azido, chloro, bromo and iodo groups as substituents on the ring carbon atoms.

Organic Magnetic Resonance published new progress about NMR (nuclear magnetic resonance). 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Khan, M. A.; Mustafa, A. published the artcile< Ipso substitution in heterocyclic compounds. Bromination of pyrazole-4-carboxaldehydes>, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole, the main research area is pyrazolecarboxaldehyde bromination.

Bromination of pyrazolecarboxaldehydes I (R1 = H, Me; R2 = H, NO2) with Br in AcOH at room temperature for 30 min gave 46-66% bromopyrazolecarboxaldehydes II.

Pharmazie published new progress about Bromination. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Recommanded Product: 4-Bromo-3-phenyl-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Dang, Qun; Brown, Brian S.; Erion, Mark D. published the artcile< 5-Aminopyrazoles as Dienophiles in the Inverse Electron Demand Diels-Alder Reactions of 2,4,6-Tris(ethoxycarbonyl)-1,3,5-triazine: Syntheses of Pyrazolopyrimidines>, Computed Properties of 118430-74-3, the main research area is pyrazolopyrimidine preparation; cycloaddition ethoxycarbonyltriazine aminopyrazole; triazine trisethoxycarbonyl cycloaddition aminopyrazole; pyrazole amino cycloaddition trisethoxycarbonyltriazine.

[4 + 2] Cycloaddition reactions of 2,4,6-tris(ethoxycarbonyl)-1,3,5-triazine with 5-aminopyrazoles are reported. This methodol. is suitable for the one-step synthesis of highly substituted pyrazolo[3,4-d]pyrimidines.

Journal of Organic Chemistry published new progress about Diels-Alder reaction, inverse-electron-demand. 118430-74-3 belongs to class pyrazoles-derivatives, and the molecular formula is C7H11N3, Computed Properties of 118430-74-3.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Bellenie, Benjamin R.; Hall, Edward; Bruce, Ian; Spendiff, Matthew; Culshaw, Andrew; McDonald, Sarah; Ambarkhane, Ameet; Chinn, Colin; Thomas, Matthew; Rosner, Elisabeth; Bracher, Marguerite; Nicklin, Paul; Marshall, Stephen; Coote, Julie; Cullen, Eva; Tessier, Clemence; Wuersch, Kuno; Lal, Ajay; Wallis, Gillian; Hollingworth, Gregory J.; Neef, James published the artcile< Discovery and Toxicological Profiling of Aminopyridines as Orally Bioavailable Selective Inhibitors of PI3-Kinase γ>, Quality Control of 1046832-21-6, the main research area is pharmacokinetic aminopyridine oral inhibitor PI3K gamma airway inflammation toxicol.

Using a novel physiol. relevant in vitro human whole blood neutrophil shape change assay, an aminopyrazine series of selective PI3Kγ inhibitors was identified and prioritized for further optimization. Severe solubility limitations associated with the series leading to low oral bioavailability and poor exposures, especially at higher doses, were overcome by moving to an aminopyridine core. Compound 33, with the optimal balance of on-target activity, selectivity, and pharmacokinetic parameters, progressed into in vivo studies and demonstrated good efficacy (10 mg/kg) in a rat model of airway inflammation. Sufficient exposures were achieved at high doses to support toxicol. studies, where unexpected inflammatory cell infiltrates in cardiovascular tissue prevented further compound development.

Journal of Medicinal Chemistry published new progress about Aminopyridines Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 1046832-21-6 belongs to class pyrazoles-derivatives, and the molecular formula is C11H19BN2O2, Quality Control of 1046832-21-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Komatsuda, Masaaki; Suto, Ayane; Kondo, Hiroki Jr; Takada, Hiroyuki; Kato, Kenta; Saito, Bunnai; Yamaguchi, Junichiro published the artcile< Ring-opening fluorination of bicyclic azaarenes>, Category: pyrazoles-derivatives, the main research area is pyrazolopyridine bicyclic azaarene ring opening fluorination.

Authors have discovered a ring-opening fluorination of bicyclic azaarenes. Upon treatment of bicyclic azaarenes such as pyrazolo[1,5-a]pyridines with electrophilic fluorinating agents, fluorination of the aromatic ring is followed by a ring-opening reaction. Although this overall transformation can be classified as an electrophilic fluorination of an aromatic ring, it is a novel type of fluorination that results in construction of tertiary carbon-fluorine bonds. The present protocol can be applied to a range of bicyclic azaarenes, tolerating azines and a variety of functional groups. Addnl., mechanistic studies and enantioselective fluorination have been examined

Chemical Science published new progress about Bond cleavage. 73957-66-1 belongs to class pyrazoles-derivatives, and the molecular formula is C8H6N2O, Category: pyrazoles-derivatives.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Kokorekin, Vladimir A.; Sigacheva, Vera L.; Petrosyan, Vladimir A. published the artcile< New data on heteroarene thiocyanation by anodic oxidation of NH4SCN. The processes of electroinduced nucleophilic aromatic substitution of hydrogen>, COA of Formula: C7H11N3, the main research area is heteroarene thiocyanation anodic oxidation ammonium thiocyanate.

Potentiostatic (galvanostatic) electrolysis of NH4SCN in an undivided cell under mild conditions (25 °C, Pt anode, MeCN) was employed to perform the anodic thiocyanation of nitrogen-containing heterocycles with yields up to 95%. The regularities of the process are discussed, which show that it can be considered as electroinduced nucleophilic aromatic substitution of hydrogen.

Tetrahedron Letters published new progress about Cyanation, thiocyanation. 118430-74-3 belongs to class pyrazoles-derivatives, and the molecular formula is C7H11N3, COA of Formula: C7H11N3.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Rickborn, Bruce published the artcile< The retro-Diels-Alder reaction. Part II. Dienophiles with one or more heteroatom>, COA of Formula: C6H8N2O2, the main research area is review One; review II; review More; review Dienophiles; review Reaction; review Retro DielsAlder; review Part; review Heteroatom.

A review of the article The retro-Diels-Alder reaction. Part II. Dienophiles with one or more heteroatom.

Organic Reactions (Hoboken, NJ, United States) published new progress about Organic synthesis. 17827-61-1 belongs to class pyrazoles-derivatives, and the molecular formula is C6H8N2O2, COA of Formula: C6H8N2O2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Milner, Phillip J.; Yang, Yang; Buchwald, Stephen L. published the artcile< In-Depth Assessment of the Palladium-Catalyzed Fluorination of Five-Membered Heteroaryl Bromides>, Safety of 4-Bromo-3-phenyl-1H-pyrazole, the main research area is palladium catalyzed fluorination five membered heteroaryl bromide; bromoazole palladium catalyzed fluorination theor.

A thorough investigation of the challenging Pd-catalyzed fluorination of five-membered heteroaryl bromides is presented. Crystallog. studies and d. functional theory (DFT) calculations suggest that the challenging step of this transformation is C-F reductive elimination of five-membered heteroaryl fluorides from Pd(II) complexes. On the basis of these studies, we have found that various heteroaryl bromides bearing Ph groups in the ortho position can be effectively fluorinated under catalytic conditions. Highly activated 2-bromoazoles, such as 8-bromocaffeine, are also viable substrates for this reaction.

Organometallics published new progress about Crystal structure. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Safety of 4-Bromo-3-phenyl-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics