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Pervaiz Ali Channar, Aamer Saeed, Fayaz Ali Larik, Bakhtawar Batool, Saima Kalsoom, M M Hasan, Mauricio F Erben, Hesham R El-Seedi, Musrat Ali, Zaman Ashraf
Aryl pyrazoles are well recognized class of heterocyclic compounds found in several commercially available drugs. Owing to their significance in medicinal chemistry, in this current account we have synthesized a series of suitably substituted aryl pyrazole by employing Suzuki cross-coupling reaction. All compounds were evaluated for inhibition of mushroom tyrosinase enzyme both in vitro and in silico. Compound 3f (IC50  = 1.568 ± 0.01 µM) showed relatively better potential compared to reference kojic acid (IC50  = 16...
April 30, 2018: Bioorganic Chemistry
Elda Meta, Chiara Brullo, Michele Tonelli, Scott G Franzblau, Yuehong Wang, Rui Ma, Wan Baojie, Beatrice Silvia Orena, Maria Rosalia Pasca, Olga Bruno
BACKGROUND: We screened a large library of differently decorated imidazo-pyrazole and pyrazole derivatives as possible new antitubercular agents and this preliminary screening showed that many compounds are able to totally inhibit Mycobacterium growth (>90 %). Among the most active compounds, we selected some new possible hits based on their similarities and, at the same time, their novelty respect to the pipeline drugs. METHODS: In order to increase the potency and obtain more information about structure activity relationship (SAR), we design and synthesized three new series of compounds (2a-e, 3a-e, and 4a-l)...
May 23, 2018: Medicinal Chemistry
Ning Su, Zheng-Guang Wu, You-Xuan Zheng
Two novel iridium(iii) complexes Ir(BTBP)2mepzpy and Ir(BTBP)2phpzpy were successfully synthesized, in which 2',6'-bis(trifluoromethyl)-2,4'-bipyridine (BTBP) was used as the main ligand, and 2-(3-methyl-1H-pyrazol-5-yl)pyridine (mepzpy) and 2-(3-2-(3-phenyl-1H-pyrazol-5-yl))pyridine (phpzpy) were introduced as the ancillary ligands, respectively. Both Ir(iii) complexes displayed bluish green emission peaks at 486 and 487 nm with high quantum efficiencies of 0.73 and 0.69, respectively. The organic light-emitting diodes (OLEDs) with the structure of ITO/HATCN (hexaazatriphenylenehexacarbonitrile, 5 nm)/TAPC (bis[4-(N,N-ditolylamino)-phenyl]cyclohexane, 40 nm)/Ir(BTBP)2mepzpy or Ir(BTBP)2phpzpy (10 wt%): 2,6-DCzPPy (2,6-bis(3-(9H-carbazol-9-yl)phenyl)pyridine, 10 nm)/TmPyPB (1,3,5-tri[(3-pyridyl)-phen-3-yl]benzene, 30 nm)/LiF (1 nm)/Al (100 nm) exhibited high efficiencies with low efficiency roll-off...
May 23, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Maria Del Carmen Giménez-López, Miguel Clemente-León, Carlos Giménez-Saiz
This paper reports firstly the syntheses, crystal structures, and thermal and magnetic properties of spin crossover salts of formulae [Fe(bpp)2]3[Cr(CN)6]2·13H2O (1) and [Fe(bpp)2][N(CN)2]2·H2O (2) (bpp = 2,6-bis(pyrazol-3-yl)pyridine) exhibiting hydrogen-bonded networks of low-spin [Fe(bpp)2]2+ complexes and [Cr(CN)6]3- or [N(CN)2]- anions, with solvent molecules located in the voids. Desolvation of 1 is accompanied by a complete low-spin (LS) to a high-spin (HS) transformation that becomes reversible after rehydration by exposing the sample to the humidity of air...
May 23, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Omaima G Shaaban, Heba A Abd El Razik, Shams El-Dine A Shams El-Dine, Fawzia A Ashour, Alaa A El-Tombary, Ola S Afifi, Marwa M Abu-Serie
AIM: Targeting apoptosis regulators such as caspases aiming at inducing apoptosis is an attractive strategy in cancer therapy. MATERIALS & METHODS: 8-Substituted purine incorporating pyrazole moiety were designed, synthesized and evaluated for their anticancer and antioxidant activities. RESULTS: Compounds 7a and 8a displayed potent and selective anticancer activity against lung cancer A549 cell line with low cytotoxicity on peripheral blood mononuclear normal cells...
May 23, 2018: Future Medicinal Chemistry
Xiao-Qin Wei, Qian Pi, Fu-Xing Shen, Dong Shao, Hai-Yan Wei, Xin-Yi Wang
By reaction of K4[MoIII(CN)7]·2H2O, Mn(ClO4)2·6H2O and bidentate chelating ligands, three new cyano-bridged compounds, namely Mn2(3-pypz)(H2O)(CH3CN)[Mo(CN)7] (1), Mn2(1-pypz)(H2O)(CH3CN)[Mo(CN)7] (2) and Mn2(pyim)(H2O)(CH3CN)[Mo(CN)7] (3) (3-pypz = 2-(1H-pyrazol-3-yl)pyridine, 1-pypz = 2-(1H-pyrazol-1-yl)pyridine, pyim = 2-(1H-imidazol-2-yl)pyridine), have been synthesized and characterized structurally and magnetically. Single crystal X-ray analyses revealed that although the chelating ligands are different, compounds 1 to 3 are isomorphous and crystallize in the same monoclinic space group C2/m...
May 22, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Hengzhi Wang, Weitang Liu, Kongping Zhao, Hui Yu, Jia Zhang, Jinxin Wang
QYR301, 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid 4-[2-chloro-3-(3,5-dimethyl-pyrazol-1-ylmethyl)-4-methanesulfonyl-benzoyl]-2,5-dimethyl-2H-pyrazol-3-yl ester, is a novel HPPD-inhibiting herbicide and was evaluated to provide a reference for post-emergence (POST) application under greenhouse and field conditions. The crop safety (180 and 360 g active ingredient (a.i.) ha-1 treatments) experiment revealed that wheat, paddy, garlic and corn were the only four crops without injury at both examined herbicide rates...
May 21, 2018: Scientific Reports
Raiko Hahn, Fabian Bohle, Stefan Kotte, Tristan J Keller, Stefan-S Jester, Andreas Hansen, Stefan Grimme, Birgit Esser
Donor-acceptor-type interactions between π-electron systems are of high relevance in the design of chemical sensors. Due to their electron-rich nature, cyclic trinuclear complexes (CTCs) of gold(i) are ideal receptor sites for electron-deficient aromatic analytes. Scanning tunneling microscopy provided insight into the structures of two-dimensional crystals of pyridinate gold CTCs that form on a graphite template at the solid/liquid interface. One polymorph thereof - in turn - templated the on-top co-adsorption of π-acidic pyrazolate CTCs as electron-poor guests up to a certain threshold...
April 14, 2018: Chemical Science
Elham Khajehali, Celine Valant, Manuela Jörg, Andrew B Tobin, P Jeffrey Conn, Craig W Lindsley, Patrick M Sexton, Peter J Scammells, Arthur Christopoulos
Subtype-selective allosteric modulation of the M1 muscarinic acetylcholine (ACh) receptor (M1 mAChR) is an attractive approach for the treatment of numerous disorders, including cognitive deficits. The discovery of benzyl quinolone carboxylic acid, BQCA, a selective M1 mAChR positive allosteric modulator (PAM), spurred the subsequent development of newer generation M1 PAMs representing diverse chemical scaffolds, different pharmacodynamic properties and, in some instances, improved pharmacokinetics. Key exemplar molecules from such efforts include PF-06767832 (N-((3R,4S)-3-hydroxytetrahydro-2H-pyran-4-yl)-5-methyl-4-(4-(thiazol-4-yl)benzyl)pyridine-2-carboxamide), VU6004256 (4,6-difluoro-N-(1S,2S)-2-hydroxycyclohexyl-1-((6-(1-methyl-1H-pyrazol-4-yl)pyridine-3-yl)methyl)-1H-indole-3-carboxamide) and MIPS1780 (3-(2-hydroxycyclohexyl)-6-(2-((4-(1-methyl-1H-pyrazol-4-yl)-benzyl)oxy)phenyl)pyrimidin-4(3H)-one)...
May 16, 2018: Biochemical Pharmacology
Hanumappa Ananda, Kothanahally S Sharath Kumar, Muddenahalli S Sudhanva, Shobith Rangappa, Kanchugarakoppal S Rangappa
Aberrant expression of estrogen receptor alpha (ER-α) is observed in many pathological complications like breast cancer, endometrial cancer, and in osteoporosis. ER-α plays a vital role in the initiation and progression of breast cancer and confers chemo and radioresistance to the cancer cells by upregulating expression of anti-apoptotic proteins. The synthetic pyrazole derivative 3-(1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl)pyridine (compound 5d) displays significant cytotoxicity against mammary carcinoma cells...
May 18, 2018: Molecular and Cellular Biochemistry
Eduardo Hernández-Vázquez, Sandra Young-Peralta, Litzia Cerón-Romero, Sara García-Jiménez, Samuel Estrada-Soto
OBJECTIVES: To explore the antihyperglycaemic and antidiabetic effects and to determine the acute toxicity of 5-(4-chlorophenyl)-1-(2,4-dichloro-phenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (ENP-9). METHODS: The antihyperglycaemic effect of ENP-9 (50 mg/kg) was determined by oral glucose tolerance test (OGTT). Also, the acute (16, 50 and 160 mg/kg) and subacute (50 mg/kg/day for 10 days) antidiabetic effects of ENP-9 were determined. After subacute treatment, blood samples were analysed to determine glucose and lipid profiles...
May 17, 2018: Journal of Pharmacy and Pharmacology
Ali Fan, Jiali Wei, Mengru Yang, Qing Zhang, Yaliang Zhang, Qingwang Liu, Ning Li, Di Zhao, Yang Lu, Junxiu Li, Jie Zhao, Shuhua Deng, Bingjie Zhang, Hailiang Zhu, Xijing Chen
YMR-65, 5-(5-bromo-1-methyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-4, 5-dihydro-1H-pyrazole-1-carboxamide, is a potential tubulin inhibitor exhibiting good anticancer activity. In our study, we illustrated the biological activities in HepG2 cells and the pharmacodynamic and pharmacokinetic profiles were evaluated in murine H22 hepatoma-bearing mice. Molecular docking assay and colchicine competition assay indicated that YMR-65 could bind tightly to the colchicine binding site of tubulin. Further investigation demonstrated that YMR-65 arrested cells in the G2/M phase of cell cycle and induced apoptosis in HepG2 cells...
May 14, 2018: European Journal of Pharmaceutical Sciences
Raghavender Medishetty, Zongji Zhang, Alexander Sadlo, Stefan Cwik, Daniel Peeters, Sebastian Henke, Nagarathinam Mangayarkarasi, Anjana Devi
Fabrication of three-dimensional metal-organic framework (MOF) thin films has been investigated for the first time through the conversion of a ZnO layer via a pure vapour-solid deposition reaction at ambient pressure. The fabrication of MOF thin films with a dicarboxylate linker, (DMA)2[Zn3(bdc)4] (1) (bdc = 1,4-benzenedicarboxylate), and a carboxy-pyrazolate linker, [Zn4O(dmcapz)6] (2) (dmcapz = 3,5-dimethyl-4-carboxypyrazole), involves the deposition of the linker and/or the preparation of a composite film preliminarily and its subsequent conversion into a MOF film using closed cell thermal treatment...
May 17, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Yasuhiro Arikawa, Junko Hiura, Chika Tsuchii, Mika Kodama, Naoki Matsumoto, Keisuke Umakoshi
A synthetic NO reduction cycle (2NO + 2H+ + 2e- → N2O + H2O) on a dinuclear platform {(TpRu)2(μ-pz)2} (Tp = HB(pyrazol-1-yl)3) was achieved, where an unusual N-N coupling complex was included. Moreover, an interesting photo-induced conversion of the N-N coupling complex to an oxido-bridged complex was revealed.
May 17, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Mayur K Vekariya, Rajesh H Vekariya, Pathik S Brahmkshatriya, Nisha K Shah
A series of new pyrimidine-pyrazole hybrid molecules were designed as inhibitors of cyclin-dependent kinase 2. Designed compounds were docked using Glide and the compounds showing good score values and encouraging interactions with the residues were selected for synthesis. They were then evaluated using CDK2-CyclinA2 enzyme inhibition by a luminescent ADP detection assay. We show that of the 26 compounds synthesized and evaluated, at least 5 compounds were found to be highly potent (IC50 < 20 nM); which can be further optimized to have selectivity over other kinase isoforms...
May 16, 2018: Chemical Biology & Drug Design
Collin J Vincent, Ian D Giles, Jeffrey R Deschamps
The crystal structure of complexes of 3,4,5-tri-methyl-1 H -pyrazole with CuCl2 ·2H2 O and Cu(NO3 )2 ·2.5H2 O are presented, namely di-μ-chlorido-bis[chloridobis(3,4,5-trimethyl-1 H -pyrazole-κ N 2 )copper(II)], [Cu2 Cl4 (C6 H10 N2 )4 ] ( 1 ) and aquatetrakis(3,4,5-trimethyl-1 H -pyrazole-κ N 2 )copper(II) dinitrate, [Cu(C6 H10 N2 )4 (H2 O)](NO3 )2 ( 2 ), and compared to the previously determined structures for 3-methyl-1 H -pyrazole and 3,5-di-methyl-1 H -pyrazole. CuCl2 forms a 2:1 ligand-to-metal chloride-bridged complex with 3,4,5-tri-methyl-1 H -pyrazole, with a square-pyramidal coordination geometry about each copper(II) center...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Daren Fearon, Isaac M Westwood, Rob L M van Montfort, Richard Bayliss, Keith Jones, Vassilios Bavetsias
Screening a 3-aminopyridin-2-one based fragment library against a 26-kinase panel representative of the human kinome identified 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one (2) and 3-amino-5-(pyridin-4-yl)pyridin-2(1H)-one (3) as ligand efficient inhibitors of the mitotic kinase Monopolar Spindle 1 (MPS1) and the Aurora kinase family. These kinases are well recognised as attractive targets for therapeutic intervention for treating cancer. Elucidation of the binding mode of these fragments and their analogues has been carried out by X-ray crystallography...
April 17, 2018: Bioorganic & Medicinal Chemistry
Jamshed Iqbal, Syeda Abida Ejaz, Mariya Al-Rashida, Aamer Saeed
Cancer is the second leading cause of mortality worldwide. Therapeutic approach to cancer is a multi-faceted one, whereby many cellular/enzymatic pathways have been discovered as important drug targets for the treatment of cancer. A major disadvantage of most of the currently available anticancer drugs is their non-selective cytotoxicity towards cancerous as well as healthy cells. Another major hurdle in cancer therapy is the development of resistance to anticancer drugs. This necessitates the discovery of new molecules with potent and selective cytotoxic activity towards only cancerous cells, with minimum or no damage to the normal/healthy cells...
May 12, 2018: European Journal of Pharmacology
Belal Ahmed, Hongil Jo, Seung-Jin Oh, Kang Min Ok
Four novel transition metal oxyfluorides, [Zn(pz)3 ][MoO2 F4 ]·0.1H2 O (1), [Zn(pz)2 F2 ][Zn(pz)3 ]2 [WO2 F4 ]2 (2), [Cd(pz)4 ][Cd(pz)4 (H2 O)][MoO2 F4 ]2 ·0.625H2 O (3), and [Zn(mpz)3 ]2 [MoO2 F4 ]2 (4) (pz = pyrazole; mpz = 3-methyl pyrazole) have been synthesized. Compounds 1 and 4 contain helical chains. Compound 2 accommodates zigzag chains, and compound 3 has quasi-one-dimensional linear chains. The variable chain structures are found to be attributable to the different structure-directing anionic groups and hydrogen bonding interactions...
May 15, 2018: Inorganic Chemistry
Xian-Dong Lang, Liang-Nian He
Currently, it still remains a challenge to amplify the spectrum of chemical fixation of CO2, though enormous progresses have been witnessed in this field. In view of the widespread applications of CO in a myriad of industrial carbonylation processes, we proposed an alternative strategy to integrate CO2 reduction to CO and carbonylations with CO ex situ generated, efficiently affording pharmaceutically and agrochemically attractive molecules. As such, CO2 in this study was efficiently reduced by triphenysilane with CsF to CO in a sealed two-chamber reactor; Subsequently, the palladium-catalyzed aminocarbonylation and carbonylative Sonogashira coupling of aryl iodides, rhodium(I)-mediated Pauson-Khand-type reaction proceeded smoothly to furnish the amides, alkynones and bicyclic cyclopentenones, respectively...
May 15, 2018: ChemSusChem
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