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Basil M Ahmed, Gellert Mezei
Novel multimetallic copper pyrazolate complexes, inaccessible using simple pyrazole ligands due to competing, alternative structural motifs, can be obtained by locking pairs of pyrazole ligands together with ethylene tethers. Nanojars based on this tethered pyrazole ligand display unexpected total selectivity for the carbonate over the sulfate ion.
December 8, 2016: Chemical Communications: Chem Comm
Yuan-Zhu Zhang, Silvia Gómez-Coca, Andrew J Brown, Mohamed R Saber, Xuan Zhang, Kim R Dunbar
The air-stable mononuclear Co(ii) compounds [Co(II)(Tpm)2][ClO4]2 (1, Tpm = tris(pyrazol-1-yl)methane), [Co(II)(Tpm)2][BPh4]2·2MeCN (2) with trigonal antiprismatic geometry (trigonally elongated octahedral geometry) are reported. Magnetic and theoretical studies reveal that the complexes exhibit single-molecule magnet behavior with uniaxial anisotropy and a huge energy difference between ground and first excited Karmers' doublets (∼200 cm(-1)). Under applied DC fields, compounds 1 and 2 exhibit frequency and temperature dependence of the imaginary susceptibility...
October 19, 2016: Chemical Science
Evgen V Govor, Karrar Al-Ameed, Indranil Chakraborty, Carla S Coste, Olena Govor, Yiannis Sanakis, John E McGrady, Raphael G Raptis
One-electron reduction of a pyrazolate-bridged triangular Fe3 (μ3 -O) core induces a cascade wherein all three metal centers switch from high-spin Fe(3+) to low-spin Fe(2.66+) . This hypothesis is supported by spectroscopic data ((1) H-NMR, UV-vis-NIR, infra-red, (57) Fe-Mössbauer, EPR), X-ray crystallographic characterization of the cluster in both oxidation states and also density functional theory. The reduction induces substantial contraction in all bond lengths around the metal centers, along with diagnostic shifts in the spectroscopic parameters...
December 5, 2016: Angewandte Chemie
Lingling Liu, Xiao-Fei Li, Qing Yan, Qin-Kun Li, Xiang-Hua Zhang, Mingsen Deng, Qi Qiu, Yi Luo
Metallic nanowires with desired properties for molecular integrated circuits (MICs) are especially significant in molectronics, but preparing such wires at a molecular level still remains challenging. Here, we propose, from first principles calculations, experimentally realizable edge-nitrogen-doped graphene nanoribbons (N-GNRs) as promising candidates for nanowires. Our results show that edge N-doping has distinct effects on the electronic structures and transport properties of the armchair GNRs and zigzag GNRs (AGNRs, ZGNRs), due to the formation of pyridazine and pyrazole rings at the edges...
December 5, 2016: Physical Chemistry Chemical Physics: PCCP
Jin-Aa Oh, Ho-Sang Shin
A headspace solid-phase micro extraction (HS-SPME) and gas chromatography-tandem mass spectrometric (GC-MS/MS) method is described to detect hydrazine after derivatization with 1,1,1-trifluoro-2,4-pentanedione (1,1,1-TFPD) to 3-methyl-5-(trifluoromethyl) pyrazole in industrial waste water. The following optimal HS-SPME conditions were used: 85 μm-carboxen-polydimethylsiloxane fibre, 100 mg L(-1) TFPD, saturated NaCl, an extraction/derivatization temperature of 80 °C, a heating time of 40 min, and a pH of 9...
January 15, 2017: Analytica Chimica Acta
Fengxia Ding, Meisa Wang, Yibo Du, Shuangshuang Du, Zhongling Zhu, Zhao Yan
BHX (N-(4-hydroxybenzyl)-1,3,4-triphenyl-4,5-dihydro-1H-pyrazole-5-carboxamide), a Wnt signaling pathway inhibitor, effectively inhibits tumor cell growth, but the underlying mechanism is unclear. Thus, we aim to investigate the effects and associated mechanism of BHX action on A549 and MCF-7 cell lines. In our study, MTT(3-[4,5-dimethyl-2-thiazolyl]-2,5-diphenyl-2H-tetrazolium bromide) and xenograft model assay indicated that cell growth was inhibited by BHX at a range of concentrations in vitro and in vivo...
December 2, 2016: Scientific Reports
Gabriela Khoury, Gary Ewart, Carolyn Luscombe, Michelle Miller, John Wilkinson
BACKGROUND: Previous studies with BIT225 (N-carbamimidoyl-5-(1-methyl-1H-pyrazol-4-yl)-2-naphthamide) have demonstrated a unique antiviral activity that blocks the release of HIV-1 from monocyte-derived macrophages (MDM). Antagonising the ion channel formed by HIV-1 Vpu, BIT225 preferentially targets de novo intracellular virus produced in 'virus-containing compartments' of MDM. In primary infections, dendritic cells (DC) are one of the first cells infected by HIV-1 and can transfer virus to more permissive CD4(+) T cells, making these cells an important target for novel antiviral therapies...
February 8, 2016: AIDS Research and Therapy
Isabel Bravo-Ferrer, María I Cuartero, Juan G Zarruk, Jesús M Pradillo, Olivia Hurtado, Víctor G Romera, Javier Díaz-Alonso, Juan M García-Segura, Manuel Guzmán, Ignacio Lizasoain, Ismael Galve-Roperh, María A Moro
BACKGROUND AND PURPOSE: Stroke is a leading cause of adult disability characterized by physical, cognitive, and emotional disturbances. Unfortunately, pharmacological options are scarce. The cannabinoid type-2 receptor (CB2R) is neuroprotective in acute experimental stroke by anti-inflammatory mechanisms. However, its role in chronic stroke is still unknown. METHODS: Stroke was induced by permanent middle cerebral artery occlusion in mice; CB2R modulation was assessed by administering the CB2R agonist JWH133 ((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran) or the CB2R antagonist SR144528 (N-[(1S)-endo-1,3,3-trimethylbicyclo-[2...
November 29, 2016: Stroke; a Journal of Cerebral Circulation
Cristián Cuerva, José A Campo, Mercedes Cano, Rainer Schmidt
A novel family of square-planar Pd(ii) complexes based on isoquinoline-functionalised pyrazolate ligands [Pd(pz(R(n,n)iq))2] (R(n,n) = C6H3(OCnH2n+1)2, n = 4, 6, 8, 10, 12, 14, 16, 18) has been synthesised and characterised. The new complexes show mesomorphic properties and exhibit columnar mesophases that are highly-stable in exceptionally wide temperature ranges of up to 345 °C. The formation of nanochannels in the fluid liquid crystal phases generates continuous pathways for one-dimensional proton conduction on the basis of C-HN proton transfer...
November 29, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Khaled R A Abdellatif, Wael A A Fadaly
A new series of 1,3,5-triaryl-4,5-dihydro-1H-pyrazole 10a-l was designed and synthesized via cyclization of chalcones 8a-f with 4-amino/methanesulfonylphenylhydrazine hydrochloride 9a-b. All the synthesized compounds were evaluated for their cyclooxygenase (COX) inhibition, anti-inflammatory activity, ulcerogenic liability and analgesic activity. All compounds were more COX-2 inhibitors than COX-1. While most compounds showed good anti-inflammatory activity, the trimethoxy derivatives (10a, 10b, 10g and 10h) were the most potent derivatives (ED50=55...
November 21, 2016: Bioorganic Chemistry
Hanumappa Ananda, Kothanahally S Sharath Kumar, Mayilaadumveettil Nishana, Mahesh Hegde, Mrinal Srivastava, Raghava Byregowda, Bibha Choudhary, Sathees C Raghavan, Kanchugarakoppal S Rangappa
Pyrazole moiety represents an important category of heterocyclic compound in pharmaceutical and medicinal chemistry. The novel 1-aryl-3, 5-bis (het) aryl pyrazole derivatives were synthesized with complementary regioselectivity. The chemical structures were confirmed by IR, (1)H NMR, (13)C NMR, and mass spectral analysis. The chemical entities were screened in various cancer cell lines to assess their cell viability activity. Results showed that the compound 3-(1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl) pyridine (5d) possessed maximum cytotoxic effect against breast cancer and leukemic cells...
November 24, 2016: Molecular and Cellular Biochemistry
Dirong Gong, Xuequan Zhang, Kuo-Wei Huang
A new family of cobalt complexes (CoCl2-H, CoCl2-Me, CoCl2-iPr, CoBr2-H, CoBr2-Me, CoBr2-iPr, CoI2-H, CoI2-Me, and CoI2-iPr) supported by a PN(3) ligand (6-(N,N'-di-t-butylphosphino)-2-pyrazol-yl-aminopyridine) have been prepared and fully characterized by FT-IR, elemental analysis, and X-ray analysis. The X-ray analysis reveals a trigonal bipyramidal conformation in the solid state for all representative complexes, CoCl2-H, CoBr2-H, CoBr2-iPr and CoI2-Me. The cobalt center is chelated by the PN(3) ligand through the pyridinyl nitrogen, the pyrazol nitrogen and the phosphorus donor, with a long Co-P bond distance indicating a labile character...
November 24, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Takunori Seki, Kenichi Goto, Kanako Kiyohara, Yasuo Kansui, Noboru Murakami, Yoshie Haga, Toshio Ohtsubo, Kiyoshi Matsumura, Takanari Kitazono
Endothelium-dependent hyperpolarization (EDH)-mediated responses are impaired in hypertension, but the underlying mechanisms have not yet been determined. The activation of small- and intermediate-conductance of Ca(2+)-activated K(+) channels (SKCa and IKCa) underpins EDH-mediated responses. It was recently reported that Ca(2+) influx through endothelial transient receptor potential vanilloid type 4 channel (TRPV4) is a prerequisite for the activation of SKCa/IKCa in endothelial cells in specific beds. Here, we attempted to determine whether the impairment of EDH in hypertension is attributable to the dysfunction of TRPV4 and S/IKCa, using isolated superior mesenteric arteries of 20-week-old stroke-prone spontaneously hypertensive rats (SHRSP) and age-matched Wistar-Kyoto (WKY) rats...
November 21, 2016: Hypertension
Xian-Hai Lv, Zi-Li Ren, Peng-Liu, Bing-Xin Li, Qing-Shan Li, Ming-Jie Chu, Hai-Qun Cao
BACKGROUND: Succinate dehydrogenase (SDH) plays an important role in the Krebs cycle, which is considered as an attractive target for development of succinate dehydrogenase inhibitors (SDHIs) based on antifungal agents. Thus, in order to discover novel molecules with high antifungal activities, SDH as target a series of novel nicotinamide derivatives bearing substituted pyrazole moiety were designed and synthesized firstly via a one-pot reaction. RESULTS: The biological assay data showed that compound 3l displayed the most potent antifungal activity with EC50 values of 33...
November 17, 2016: Pest Management Science
Sujay Basu, Dinesh A Barawkar, Vidya Ramdas, Yogesh Waman, Meena Patel, Anil Panmand, Santosh Kumar, Sachin Thorat, Rajesh Bonagiri, Dilip Jadhav, Partha Mukhopadhyay, Vandna Prasad, B Srinivasa Reddy, Arnab Goswami, Sandhya Chaturvedi, Suraj Menon, Azfar Quraishi, Indraneel Ghosh, Sushant Dusange, Shalini Paliwal, Abhay Kulkarni, Vikas Karande, Rhishikesh Thakre, Gaurav Bedse, Sreekanth Rouduri, Jayasagar Gundu, Venkata P Palle, Anita Chugh, Kasim A Mookhtiar
A2BAdoR is a low affinity adenosine receptor that functions by Gs mediated elevation of cAMP and subsequent downstream signaling. The receptor has been implicated in lung inflammatory disorders like COPD and asthma. Several potent and selective A2BAdoR antagonists have been reported in literature, however most of the compounds suffer from poor pharmacokinetic profile. Therefore, with the aim to identify novel, potent and selective A2BAdoR antagonists with improved pharmacokinetic properties, we first explored more constrained form of MRS-1754 (4)...
November 8, 2016: European Journal of Medicinal Chemistry
Md Jahangir Alam, Ozair Alam, Suroor Ahmad Khan, Mohd Javed Naim, Mohammad Islamuddin, Girdhar Singh Deora
This article reports on the design, synthesis, and pharmacological activity of a new series of hybrid pyrazole analogues: 5a-5u. Among the series 5a-5u, the compounds 5u and 5s exhibited potent anti-inflammatory activity of 80.63% and 78.09% and inhibition of 80.87% and 76.56% compared with the standard drug ibuprofen, which showed 81.32% and 79.23% inhibition after 3 and 4 hours, respectively. On the basis of in vivo studies, 12 compounds were selected for assessment of their in vitro inhibitory action against COX1/2 and TNFα...
2016: Drug Design, Development and Therapy
Chao Yan, Dan Theodorescu, Bettina Miller, Amit Kumar, Vijay Kumar, David Ross, Michael F Wempe
Chemical synthesis was performed to produce a series of 6-amino-1,3-disubstituted-4-phenyl-1,4-dihydro pyrano[2,3-c]pyrazole-5-carbonitrile compounds (14-57) which were characterized by (1)H NMR, (13)C NMR and LC/MS-MS. These compounds were assessed for their effect on the in vitro anchorage independent growth of human lung cancer cell line H2122 and IC50 values calculated. Two of the more potent compounds, BQU057 40 and BQU082 57 also displayed a dose dependent effect on RalA and RalB activity in H2122 spheroids using the common RalBP1 pull-down assay...
October 12, 2016: Bioorganic & Medicinal Chemistry Letters
Rajendran Sribalan, Govindharasu Banuppriya, Maruthan Kirubavathi, A Jayachitra, Vediappen Padmini
A series of fifteen new chemical entities, 3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide chalcones (6a-o), were synthesized as new hybrids with enriched biological activities compared to their parent molecules. The compounds were characterized by (1)H NMR, (13)C NMR, Mass and IR spectral studies. Their antibacterial, anti-inflammatory and antioxidant activities have been evaluated. These compounds showed moderate to good antibacterial, anti-inflammatory and antioxidant activities. The molecular docking analysis was performed with cyclooxygenase enzyme to ascertain the probable binding model...
October 27, 2016: Bioorganic & Medicinal Chemistry Letters
Luis A Martinez, Kellie S Gross, Brett T Himmler, Nicole L Emmitt, Brittni M Peterson, Natalie E Zlebnik, M Foster Olive, Marilyn E Carroll, Robert L Meisel, Paul G Mermelstein
In comparison to men, women initiate drug use at earlier ages and progress from initial use to addiction more rapidly. This heightened intake and vulnerability to drugs of abuse is regulated in part by estradiol, although the signaling mechanisms by which this occurs are not well understood. Recent findings indicate that within the nucleus accumbens core, estradiol induces structural plasticity via membrane-localized estrogen receptor α, functionally coupled to metabotropic glutamate receptor subtype 5 (mGluR5)...
September 2016: ENeuro
Hojong Yoon, Injae Shin, Yunju Nam, Nam Doo Kim, Kyung-Bok Lee, Taebo Sim
Activating mutations of REarrange during Transfection (RET) kinase frequently occur in human thyroid and lung cancers. An enormous effort has been devoted to discover potent and selective inhibitors of RET. Selective and potent inhibitors against constitutively active RET mutants are rare to date as identification of selective RET inhibitors is challenging. In a recent effort we identified a novel and specific RET inhibitor of 5-aminopyrazole-4-carboxamide scaffold, which was designed to enhance the metabolic stability of the pyrazolopyrimidine scaffold...
January 5, 2017: European Journal of Medicinal Chemistry
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