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Izar Capel Berdiell, Stuart L Warriner, Malcolm A Halcrow
Silver(i) complexes of 2,4,6-tri(pyrazol-1-yl)pyridine (tpp), 2,4,6-tri(pyrazol-1-yl)pyrimidine (tpym), 2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine (tpt) and 2,4-di(pyrazol-1-yl)-1,3,5-triazine (bpt) are reported. Dinuclear [Ag2(μ-tpp)2(MeCN)2][BF4]2·2MeCN and [Ag2(μ-tpym)2(MeCN)2][BF4]2 are formed from approximately planar [AgL(NCMe)]+ (L = tpp or bpym) centres, which dimerise via apical interactions to the pendant pyrazolyl donor on each ligand. Two polymeric solvatomorph phases [Ag2(μ-tpp)2][BF4]2·nMeNO2 were obtained by crystallising AgBF4 and tpp from nitromethane solution...
March 22, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
S M Plummer, J Wright, R A Currie
An increased incidence of liver tumours in the long term rodent bioassay is not an uncommon finding, invariably as a result of a non-genotoxic mode of action. Non-genotoxic liver carcinogenesis has been found to involve activation of certain nuclear hormone receptors (NHR) including the constitutive androstane receptor (CAR), peroxisome proliferator activated receptor alpha (PPARalpha) and arylhydrocarbon receptor (AHR) and more recently the induction of specific microRNAs (miRs), has also been demonstrated following CAR activation in studies up to 90 days (Koufaris et al...
2018: Toxicology Reports
Z Guleken, D Ozbeyli, M Acikel-Elmas, S Oktay, B Alev, S Sirvanci, A Velioglu Ogunc, O Kasimay Cakir
The 17β-estradiol plays a role in physiology of pancreas and may protect it from inflammation. To examine the possible anti-inflammatory effects of 17β-estadiol in pancreaticobiliary duct ligated (PBDL) acute pancreatitis (AP) model, and the underlying mechanism that 17β-estradiol acts on, via evaluating the direct and the receptor related effects by using 17β-estradiol, ER-α and -β agonists. In the study both sexes of rats (n = 88) were used. Animals were divided into two groups as PBDL and PBDL + ovariectomized...
December 2017: Journal of Physiology and Pharmacology: An Official Journal of the Polish Physiological Society
Vladimir V Voronin, Maria S Ledovskaya, Evgeniy G Gordeev, Konstantin S Rodygin, Valentine P Ananikov
A novel synthetic methodology for the preparation of 1,3-disubstituted pyrazoles from in situ generated nitrile imines and acetylene is reported. The reactions are performed in a simple two-chamber reactor. One part of the reactor is loaded with hydrazonoyl chloride precursors of active nitrile imine species and a base. The other part is used to generate acetylene from CaC2 and water. Partitioning of the reactants improves the yields of desired pyrazoles up to 99% and simplifies their isolation to a simple procedure of solvent evaporation...
March 16, 2018: Journal of Organic Chemistry
Assem Barakat, Abdullah M Al-Majid, Bander M Al-Qahtany, M Ali, Mohamed Teleb, Mohamed H Al-Agamy, Sehrish Naz, Zaheer Ul-Haq
BACKGROUND: Design and synthesis of pyrazole-dimedone derivatives were described by one-pot multicomponent reaction as new antimicrobial agents. These new molecular framework were synthesized in high yields with a broad substrate scope under benign conditions mediated by diethylamine (NHEt2 ). The molecular structures of the synthesized compounds were assigned based on different spectroscopic techniques (1 H-NMR,13 C-NMR, IR, MS, and CHN). RESULTS: The synthesized compounds were evaluated for their antibacterial and antifungal activities against S...
March 14, 2018: Chemistry Central Journal
Andreas Kling, Katja Jantos, Helmut Mack, Wilfried Hornberger, Gisela Backfisch, Yanbin Lao, Marjoleen Nijsen, Beatrice Rendenbach-Mueller, Achim Moeller
Dysregulation of calpains 1 and 2 has been implicated in a variety of pathological disorders including ischemia/reperfusion injuries, kidney diseases, cataract formation, and neurodegenerative diseases such as Alzheimer's disease (AD). 2-(3-Phenyl-1 H )-pyrazol-1-yl)nicotinamides represent a series of novel and potent calpain inhibitors with high selectivity and in vivo efficacy. However, carbonyl reduction leading to the formation of the inactive hydroxyamide was identified as major metabolic liability in monkey and human, a pathway not reflected by routine absorption, distribution, metabolism, and excretion (ADME) assays...
March 8, 2018: ACS Medicinal Chemistry Letters
Camille D Dago, Paul Le Maux, Thierry Roisnel, Christophe Brigaudeau, Yves-Alain Bekro, Olivier Mignen, Jean-Pierre Bazureau
From a series of (1 R , 1 S )-1[β-(phenylalkoxy)-(phenetyl)]-1 H -pyrazolium hydrochloride as new analogues of SKF-96365, one has an interesting effect for endoplasmic reticulum (ER) Ca2+ release and store-operated Ca2+ entry (SOCE) (IC50 25 μM) on the PLP-B lymphocyte cell line. A successful resolution of (±) 1-phenyl-2-(1 H -pyrazol-1-yl)ethan-1-ol has been developed by using the method of "half-concentration" in the presence of (+)-(1 S )- or (-)-(1 R )-CSA.
March 14, 2018: International Journal of Molecular Sciences
John R Horton, Xu Liu, Lizhen Wu, Kai Zhang, John Shanks, Xing Zhang, Ganesha Rai, Bryan T Mott, Daniel J Jansen, Stephen C Kales, Mark J Henderson, Katherine Pohida, Yuhong Fang, Xin Hu, Ajit Jadhav, David J Maloney, Matthew D Hall, Anton Simeonov, Haian Fu, Paula M Vertino, Qin Yan, Xiaodong Cheng
Isomers of chiral drugs can exhibit marked differences in biological activities. We studied the binding and inhibitory activities of 12 compounds against KDM5A. Among them are two pairs of enantiomers representing two distinct inhibitor chemotypes, namely (R)- and (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (compounds N51 and N52) and (R)- and (S)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropane-carboxamide (compounds N54 and N55)...
March 14, 2018: Journal of Medicinal Chemistry
Konstantin S Rodygin, Alexander S Bogachenkov, Valentine P Ananikov
We developed a simple and efficient strategy to access N -vinyl secondary amines of various naturally occurring materials using readily available solid acetylene reagents (calcium carbide, KF, and KOH). Pyrrole, pyrazole, indoles, carbazoles, and diarylamines were successfully vinylated in good yields. Cross-linked and linear polymers were synthesized from N -vinyl carbazoles through free radical and cationic polymerization. Post-modification of olanzapine (an antipsychotic drug substance) was successfully performed...
March 13, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Hector J Rivera-Jacquez, Artëm E Masunov
Development of two-photon fluorescent probes can aid in visualizing the cellular environment. Multi-chromophore systems display complex manifolds of electronic transitions, enabling their use for optical sensing applications. Time-Dependent Density Functional Theory (TDDFT) methods allow for accurate predictions of the optical properties. These properties are related to the electronic transitions in the molecules, which include two-photon absorption cross-sections. Here we use TDDFT to understand the mechanism of aza-crown based fluorescent probes for metals sensing applications...
February 21, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Shuangjie Shu, Antao Dai, Jiang Wang, Bin Wang, Yang Feng, Jia Li, Xiaoqing Cai, Dehua Yang, Dakota Ma, Ming-Wei Wang, Hong Liu
A novel series of 4-methyl substituted pyrazole derivatives were designed, synthesized and biologically evaluated as potent glucagon receptor (GCGR) antagonists. In this study, compounds 9q, 9r, 19d and 19e showed high GCGR binding (IC50  = 0.09 μM, 0.06 μM, 0.07 μM and 0.08 μM, respectively) and cyclic-adenosine monophosphate (cAMP) activities (IC50  = 0.22 μM, 0.26 μM, 0.44 μM and 0.46 μM, respectively) in cell-based assays. Most importantly, the docking experiment demonstrated that compound 9r formed extensive hydrophobic interactions with the receptor binding pocket, making it justifiable to further investigate the potential of becoming a GCGR antagonist...
February 22, 2018: Bioorganic & Medicinal Chemistry
Julia Paterson, Harald Gross
Strain ICMP-8657 was formerly taxonomically classified as Burkholderia glumae and reported to be the producer of an antibacterial pyrazole derivative. Here, we report the draft genome sequence of ICMP-8657, which failed to demonstrate the biosynthetic capacity to produce the stated antibacterial compound, leading to its taxonomic reclassification as Ralstonia pickettii ICMP-8657.
March 8, 2018: Genome Announcements
Fei Yu, Jing Li, Zi-Heng Cao, Mohamedally Kurmoo, Jing-Lin Zuo
A new design concept has been realized for the construction of molecular conductors, whereby the building unit contains a core reservoir of carriers made up of metal ions with controllable valence states and shelled by flat organic ligands having an extended π-system to promote supramolecular electronic communication. Therefore, reacting the conjugated multidentate ligand 5,5'-pyridyl-3,3'-bi-1 H-pyrazole with different copper salts solvothermally led to three interesting hexameric salts having different ground-state valences, [CuII 6 (L)4 (NO3 )(CH3 OH)2 ](NO3 )3 ·4CH3 OH, [(CH3 )2 NH2 ][CuI CuII 5 (L)4 ](SO4 )2 ·4H2 O, and [CuI 2 CuII 4 (L)4 ](NO3 )2 ·2CH3 OH...
March 8, 2018: Inorganic Chemistry
Hebat-Allah S Abbas, Somaia S Abd El-Karim, Nayera A M Abdelwahed
The present study investigates, the synthesis of new derivatives of benzenesulfonamide nucleus hybridized with various substituted pyrazole 4, 8 and thiazole ring 6 using 4-amino-N-butylbenzenesulfonamide 1 as the key starting compound. Furthermore, 3,5-diaminopyrazole derivative 10 was allowed to react with different reagents such as an active methylene compounds, ketone dithioacetal, ethoxymethylene malononitrile and cyanoguanidine for a preparation of new benzenesulfonamide derivatives 11-18 conjugated with different substituted hetero-bicyclic ring systems...
May 2017: Acta Poloniae Pharmaceutica
Rongxiang Chen, Jijun Chen, Jie Zhang, Xiaobing Wan
In this account, we describe our recent progress on transition-metal-free-catalyzed cross-coupling reactions using tetrabutylammonium iodide (TBAI) as the catalyst and tert-butyl hydroperoxide (TBHP) as the oxidant. A rich variety of important organic compounds including α-acyloxy ethers, tert-butyl peresters, allylic esters, amides, α-amino nitriles, fully substituted pyrazoles, N-sulfonyl formamidines, α-amino acid esters, cyanomethyl esters, N-nitrosamines, and 3-acyloxy-2,3-dihydrobenzofurans have been successfully achieved in high chemoselectivity...
March 7, 2018: Chemical Record: An Official Publication of the Chemical Society of Japan ... [et Al.]
Yoshihide Usami, Aoi Kohno, Hiroki Yoneyama, Shinya Harusawa
Synthesis of novel pyrazole-fused heterocycles, i.e., dihydro-1H- or 2H-oxepino[3,2-c]pyrazoles (6 or 7) from 4-allyloxy-1H-pyrazoles (1) via combination of Claisen rearrangement and ring-closing metathesis (RCM) has been achieved. A suitable catalyst for the RCM of 5-allyl-4-allyloxy-1H-pyrazoles (4) was proved to be the Grubbs second generation catalyst (Grubbs2nd ) to give the predicted RCM product at room temperature in three hours. The same reactions of the regioisomer, 3-allyl-4-allyloxy-1H-pyrazoles (5), also proceeded to give the corresponding RCM products...
March 6, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Morgane Cam, Emilie Durieu, Marion Bodin, Antigoni Manousopoulou, Svenja Koslowski, Natalia Vasylieva, Bogdan Barnych, Bruce D Hammock, Bettina Bohl, Philipp Koch, Chiori Omori, Kazuo Yamamoto, Saori Hata, Toshiharu Suzuki, Frank Karg, Patrick Gizzi, Vesna Erakovic-Haber, Vlatka Bencetic Mihaljevic, Branka Tavcar, Erik Portelius, Josef Pannee, Kaj Blennow, Henrik Zetterberg, Spiros D Garbis, Pierrick Auvray, Hermeto Gerber, Jeremy Fraering, Patrick C Fraering, Laurent Meijer
Generation of amyloid-β peptides (Aβs) by proteolytic cleavage of the amyloid-β protein precursor (AβPP), especially increased production of Aβ42/Aβ43 over Aβ40, and their aggregation as oligomers and plaques, represent a characteristic feature of Alzheimer's disease (AD). In familial AD (FAD), altered Aβ production originates from specific mutations of AβPP or presenilins 1/2 (PS1/PS2), the catalytic subunits of γ-secretase. In sporadic AD, the origin of altered production of Aβs remains unknown...
February 28, 2018: Journal of Alzheimer's Disease: JAD
Alessio Nocentini, Davide Moi, Gianfranco Balboni, Severo Salvadori, Valentina Onnis, Claudiu T Supuran
Herein we report the synthesis of a new series of aromatic sulfamates designed considering the sulfonamide COX-2 selective inhibitors celecoxib and valdecoxib as lead compounds. These latter were shown to possess important human carbonic anhydrase (CA, EC inhibitory properties, with the inhibition of the tumor-associated isoform hCA IX likely being co-responsible of the celecoxib anti-tumor effects. Bioisosteric substitution of the pyrazole or isoxazole rings from these drugs with the pyrazoline one was considered owing to the multiple biological activities ascribed to this latter heterocycle and paired with the replacement of the sulfonamide of celecoxib and valdecoxib with its equally potent bioisoster sulfamate...
February 23, 2018: Bioorganic Chemistry
Zhongzhong Yan, Aiping Liu, Mingzhi Huang, Minhua Liu, Hui Pei, Lu Huang, Haibo Yi, Weidong Liu, Aixi Hu
Pyrazolecarboxamide fungicides are one of the most important classes of agricultural fungicides, which belong to succinodehydrogenase inhibitors (SDHIS). To discover new pyrazolecarboxamide analogues with broad spectrum and high activity, a class of new compounds of pyrazole carboxamide derivatives containing thiazole or oxazole ring were designed by scaffold hopping and bioisosterism, and 36 pyrazole carboxamide derivatives with antifungal activity were synthesized. Those compounds were evaluated against five phytopathogenic fungi, Gibberella zeae, Phytophythora capsici, Sclerotonia sclerotiorum, Erysiphe graminis and Puccinia sorghi...
February 21, 2018: European Journal of Medicinal Chemistry
Jinyu Yang, Gaoliang Cheng, Qihao Xu, Shenglin Luan, Shuxiang Wang, Dan Liu, Linxiang Zhao
In recent years, inhibition of HDAC6 became a promising therapeutic strategy for the treatment of cancer and HDAC6 inhibitors were considered to be potent anti-cancer agents. In this work, celecoxib showed moderate degree of HDAC6 inhibition activity and selectivity in preliminary enzyme inhibition activity assay. A series of hydroxamic acid derivatives bearing phenylpyrazol moiety were designed and synthesized as HDAC6 inhibitors. Most compounds showed potent HDAC6 inhibition activity. 11i was the most selective compound against HDAC6 with IC50 values of 0...
August 19, 2017: Bioorganic & Medicinal Chemistry
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