Tag: M.W=200-250

Klug, Dana M.; Diaz-Gonzalez, Rosario; DeLano, Travis J.; Mavrogiannaki, Eftychia M.; Buskes, Melissa J.; Dalton, Raeann M.; Fisher, John K.; Schneider, Katherine M.; Hilborne, Vivian; Fritsche, Melanie G.; Simpson, Quillon J.; Tear, Westley F.; Devine, William G.; Perez-Moreno, Guiomar; Ceballos-Perez, Gloria; Garcia-Hernandez, Raquel; Bosch-Navarrete, Cristina; Ruiz-Perez, Luis Miguel; Gamarro, Francisco; Gonzalez-Pacanowska, Dolores; Martinez-Martinez, Maria Santos; Manzano-Chinchon, Pilar; Navarro, Miguel; Pollastri, Michael P.; Ferrins, Lori published the artcile< Structure-property studies of an imidazoquinoline chemotype with antitrypanosomal activity>, Application of C10H17BN2O2, the main research area is imidazoquinoline chemotype antitrypanosomal activity structure activity relationship.

Human African trypanosomiasis is a neglected tropical disease (NTD) that is fatal if left untreated. Although approx. 13 million people live in moderate- to high-risk areas for infection, current treatments are plagued by problems with safety, efficacy, and emerging resistance. In an effort to fill the drug development pipeline for HAT, we have expanded previous work exploring the chemotype represented by the compound NEU-1090, with a particular focus on improvement of absorption, distribution, metabolism and elimination (ADME) properties. These efforts resulted in several compounds with substantially improved aqueous solubility, although these modifications typically resulted in a loss of trypanosomal activity. We herein report the results of our investigation into the antiparasitic activity, toxicity, and ADME properties of this class of compounds in the interest of informing the NTD drug discovery community and avoiding duplication of effort.

RSC Medicinal Chemistry published new progress about Blood. 936250-20-3 belongs to class pyrazoles-derivatives, and the molecular formula is C10H17BN2O2, Application of C10H17BN2O2.

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

Jain, Rama; Mathur, Michelle; Lan, Jiong; Costales, Abran; Atallah, Gordana; Ramurthy, Savithri; Subramanian, Sharadha; Setti, Lina; Feucht, Paul; Warne, Bob; Doyle, Laura; Basham, Stephen; Jefferson, Anne B.; Lindvall, Mika; Appleton, Brent A.; Shafer, Cynthia M. published the artcile< Discovery of Potent and Selective RSK Inhibitors as Biological Probes>, Category: pyrazoles-derivatives, the main research area is difluorophenol pyridine RSK inhibitor preparation antitumor.

While the p90 ribosomal S6 kinase (RSK) family has been implicated in multiple tumor cell functions, the full understanding of this kinase family has been restricted by the lack of highly selective inhibitors. A bis-phenol pyrazole was identified from high-throughput screening as an inhibitor of the N-terminal kinase of RSK2. Structure-based drug design using crystallog., conformational anal., and scaffold morphing resulted in highly optimized difluorophenol pyridine inhibitors of the RSK kinase family as demonstrated cellularly by the inhibition of YB1 phosphorylation. These compounds provide for the first time in vitro tools with an improved selectivity and potency profile to examine the importance of RSK signaling in cancer cells and to fully evaluate RSK as a therapeutic target.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Category: pyrazoles-derivatives.

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

Klug, Dana M.; Diaz-Gonzalez, Rosario; DeLano, Travis J.; Mavrogiannaki, Eftychia M.; Buskes, Melissa J.; Dalton, Raeann M.; Fisher, John K.; Schneider, Katherine M.; Hilborne, Vivian; Fritsche, Melanie G.; Simpson, Quillon J.; Tear, Westley F.; Devine, William G.; Perez-Moreno, Guiomar; Ceballos-Perez, Gloria; Garcia-Hernandez, Raquel; Bosch-Navarrete, Cristina; Ruiz-Perez, Luis Miguel; Gamarro, Francisco; Gonzalez-Pacanowska, Dolores; Martinez-Martinez, Maria Santos; Manzano-Chinchon, Pilar; Navarro, Miguel; Pollastri, Michael P.; Ferrins, Lori published the artcile< Structure-property studies of an imidazoquinoline chemotype with antitrypanosomal activity>, Application In Synthesis of 1046832-21-6, the main research area is imidazoquinoline chemotype antitrypanosomal activity structure activity relationship.

Human African trypanosomiasis is a neglected tropical disease (NTD) that is fatal if left untreated. Although approx. 13 million people live in moderate- to high-risk areas for infection, current treatments are plagued by problems with safety, efficacy, and emerging resistance. In an effort to fill the drug development pipeline for HAT, we have expanded previous work exploring the chemotype represented by the compound NEU-1090, with a particular focus on improvement of absorption, distribution, metabolism and elimination (ADME) properties. These efforts resulted in several compounds with substantially improved aqueous solubility, although these modifications typically resulted in a loss of trypanosomal activity. We herein report the results of our investigation into the antiparasitic activity, toxicity, and ADME properties of this class of compounds in the interest of informing the NTD drug discovery community and avoiding duplication of effort.

RSC Medicinal Chemistry published new progress about Blood. 1046832-21-6 belongs to class pyrazoles-derivatives, and the molecular formula is C11H19BN2O2, Application In Synthesis of 1046832-21-6.

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

Tan, Guangying; Das, Mowpriya; Maisuls, Ivan; Strassert, Cristian A.; Glorius, Frank published the artcile< Rhodium-Catalyzed Dealkenylative Arylation of Alkenes with Arylboronic Compounds>, Synthetic Route of 13788-92-6, the main research area is biaryl preparation; alkene arylboronic compound dealkenylative arylation rhodium catalyst; C−C bond cleavage; alkenes; dealkenylation arylation; organic fluorescent molecules; rhodium catalysis.

Herein, the first example of rhodium-catalyzed dealkenylative arylation of alkenes with arylboronic compounds, thereby providing an unconventional access to biaryls with excellent chemoselectivity was diclosed. In this method, C(aryl)-C(alkenyl) and C(alkenyl)-C(alkenyl) bonds in various alkenes and 1,3-dienes could be cleaved via a hydrometalation and followed by β-carbon elimination pathway for Suzuki-Miyaura reactions. Furthermore, a series of novel organic fluorescent mols. with excellent photophys. properties were efficiently constructed with this protocol.

Angewandte Chemie, International Edition published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 13788-92-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Synthetic Route of 13788-92-6.

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

Elie, Jonathan; Fruit, Corinne; Besson, Thierry published the artcile< Microwave-assisted sequential one-pot synthesis of 8-substituted pyrazolo[1,5-a][1,3,5]triazines>, Application of C6H5ClN4S, the main research area is aminopyrazole ethoxycarbonyl isothiocyanate microwave assisted heterocyclization; methylsulfanyl pyrazolotriazinone preparation; 5-aza-9-deazapurines; microwave-assisted chemistry; one-pot synthesis; pyrazolo[1,5-a][1,3,5]triazines.

A convenient sequential one-pot approach for the synthesis of an array of 14 pyrazolo[1,5-a][1,3,5]triazines, I [R = H, Br, CN, etc] substituted in C8 by halogen (Br), various functions (CN and CO2Et) and alkyl or (het)aryl groups was reported. This study confirmed the interest of combining the efficient heating obtained under dielec. microwave heating and the achievement of sequential one-pot reactions, avoiding the tedious work-up and purification of intermediate compounds, achieving sustainable synthesis processes. Considering usual conventional methods, this microwave protocol was featured by advantages in terms of yields, reaction times, and convenient gram scale synthesis.

Molecules published new progress about Fused heterocyclic compounds Role: SPN (Synthetic Preparation), PREP (Preparation). 54346-19-9 belongs to class pyrazoles-derivatives, and the molecular formula is C6H5ClN4S, Application of C6H5ClN4S.

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

Vorobyeva, Evgeniya; Gerken, Viktoria C.; Mitchell, Sharon; Sabadell-Rendon, Albert; Hauert, Roland; Xi, Shibo; Borgna, Armando; Klose, Daniel; Collins, Sean M.; Midgley, Paul A.; Kepaptsoglou, Demie M.; Ramasse, Quentin M.; Ruiz-Ferrando, Andrea; Fako, Edvin; Ortuno, Manuel A.; Lopez, Nuria; Carreira, Erick M.; Perez-Ramirez, Javier published the artcile< Activation of Copper Species on Carbon Nitride for Enhanced Activity in the Arylation of Amines>, Recommanded Product: 1-(4-Bromophenyl)-1H-pyrazole, the main research area is graphitic carbon nitride copper activation amine arylation.

We report the promoting effect of graphitic carbon nitride in Cu-catalyzed N-arylation. The abundance of pyridinic coordination sites in this host permits the adsorption of copper iodide from the reaction medium. The key to achieving high activity is to confine active Cu species on the surface, which is accomplished by introducing atomically dispersed metal dopants to block diffusion into the bulk of the carrier. The alternative route of incorporating metal during the synthesis of graphitic carbon nitride is ineffective as Cu is thermodynamically more stable in inactive subsurface positions. A combination of X-ray absorption, X-ray photoelectron, and ESR spectroscopy, d. functional theory, and kinetic Monte Carlo simulations is employed to determine the location and associated geometry as well as the electronic structure of metal centers. N-Arylation activity correlates to the surface coverage by copper, which varies during the reaction due to an interplay between site formation via adsorption from the reaction medium and deactivation by diffusion into the bulk of the material, and is highest when an Fe dopant is used to hinder such movement through the lattice.

ACS Catalysis published new progress about Adsorption (of CuI). 13788-92-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Recommanded Product: 1-(4-Bromophenyl)-1H-pyrazole.

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

Chang, Kuei-Choo; Grimmett, M. Ross; Ward, David D.; Weavers, Rex T. published the artcile< The nitration of brominated pyrazoles in aqueous sulfuric acid>, HPLC of Formula: 13808-65-6, the main research area is bromopyrazole nitration substituent; pyrazole bromo nitration substituent.

Nitration in 80% H2SO4 of 4-bromopyrazoles gives rise to considerable nitrodebromination. Compounds with no alkyl or aryl substituent on N give only the 4-nitro products, except 4-bromo-3-phenylpyrazole which gives the p-nitrophenyl compound N-Alkyl-4-bromopyrazoles give products of nitrodebromination as well as those arising from nitration in the 3- and/or 5-positions. N-Aryl-4-bromopyrazoles can also undergo nitration of the aryl substituent.

Australian Journal of Chemistry published new progress about Nitration. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, HPLC of Formula: 13808-65-6.

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

Zhang, Jin; Peng, Ju-Fang; Wang, Tao; Kang, Yang; Jing, Sisi; Zhang, Zun-Ting published the artcile< Synthesis and biological evaluation of arylpyrazoles as fungicides against phytopathogenic fungi>, Related Products of 13808-65-6, the main research area is arylpyrazole synthesis fungicide phytopathogenic fungus; Antifungal; Arylpyrazoles; Phytopathogens fungi; Structure-activity relationship.

Abstract: 3-phenol-1H-pyrazoles (2), 4-halogeno-3-phenol-1H-pyrazoles (3) and 2-(1-phenol-1H-pyrazol-5-yl)phenols (4) were prepared by the condensation of (E)-3-(dimethylamino)-1-phenylprop-2-en-1-ones and hydrazine hydrate or phenylhydrazine in good yields. They were evaluated against five phytopathogens fungi, namely Cytospora sp., Colletotrichum gloeosporioides, Botrytis cinerea, Alternaria solani and Fusarium solani in vitro. Most of the above-mentioned compounds exhibited activities. For example, 4-chloro-2-(1H-pyrazol-3-yl)phenol (3k) and 4-bromo-3-phenol-1H-pyrazole (3b) showed good and broad-spectrum antifungal properties against Cytospora sp., C. gloeosporioides, Botrytis cinerea, Alternaria solani and F. Solani with IC50 values ranging from 4.66 to 12.47 μg/mL. The results showed that pyrazoles with one aryl group at 3-position (2 and 3) exhibited better antibacterial activity than those with two aryl substituents (4). In addition, the existence of an electron-withdrawing group, a substituent on the ortho-position of phenol ring or a halogen atom at the 4-position of the pyrazole enhanced the antifungal activity of pyrazoles 2 and 3. Graphical Abstract: A series of arylpyrazole derivatives was facilely prepared and was evaluated against five phytopathogens fungi including Cytospora sp., Colletotrichum gloeosporioides, Botrytis cinerea, Alternaria solani, and Fusarium solani in vitro. Most of those compounds exhibited remarkable antifungal activities and were superior to the pos. control hymexazol. [Figure not available: see fulltext.].

Molecular Diversity published new progress about Alternaria solani. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Related Products of 13808-65-6.

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

de Paz, Jose Luis G.; Elguero, Jose; Foces-Foces, Concepcion; Llamas-Saiz, Antonio L.; Aguilar-Parrilla, Francisco; Klein, Olivier; Limbach, Hans-Heinrich published the artcile< Theoretical study of the structure and tautomerism of N1-unsubstituted pyrazoles in the solid state>, Application In Synthesis of 13808-65-6, the main research area is pyrazole oligomer structure tautomerism MO.

Ab initio theor. calculations were performed on the pyrazole cyclic dimer, trimer and tetramers as well as on linear oligomers, assuming that there is no relaxation of the geometry during the proton transfer. The ground state and a wide variety of transition states, corresponding to different pathways for intermol. proton transfer, were explored, and the results compared with exptl. data from crystallog. and solid-state NMR spectroscopy. For the simplest case of the dimer, the reaction path corresponding to a double proton transfer was explored as well as the effect of relaxing the geometry.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry published new progress about Hartree-Fock method. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Application In Synthesis of 13808-65-6.

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

Song, Bao; Cao, Ningtao; Zhang, Jie; Xie, Jianwei published the artcile< Copper pyrithione (CuPT)-catalyzed/mediated amination and thioarylation of (hetero)aryl halides: A competition>, Electric Literature of 13788-92-6, the main research area is arylhalide pyrazole copper pyrithione catalyst amination coupling reaction; arylpyrazole preparation; copper pyrithione aryl halide thioarylation coupling reaction; aryl thiopyridineoxide preparation.

A facile method for the synthesis of N-arylheterocycles and di(hetero)aryl sulfides under mild condition was described. In these transformations, copper pyrithione (CuPT) was used as the copper catalyst for CN coupling, while served as catalyst and coupled partner for CS coupling with high yields and broad substrate tolerance. The S-arylation process was also utilized for the construction of valuable bioactive 2-sulfonylpyridine 1-oxide derivatives

Molecular Catalysis published new progress about Amination. 13788-92-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, Electric Literature of 13788-92-6.

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