- The novel synthesis of tris-cyclometalated iridium(III) complexes for saturated red organic light-emitting diodes with low efficiency roll-off
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A series of homoleptic tris-cyclometalated iridium(III) complexes (Ir2–Ir4) have been synthesized by the direct functionalization of a template complex (Ir1) through a Suzuki cross-coupling reaction. We revealed the coordination arrangement of Ir4 by single X-ray structural analysis and the molecule showed a facial configuration. All the complexes showed red emission with emission maxima at 591–624 nm, short lifetimes of 1.38–2.19 μs and photoluminescence quantum yields in the range of 28–42%. Most importantly, the full width at half maximum (FWHM) of the emission maxima of these complexes was less than 48 nm. These complexes exhibited good thermal stability with Td of 368–400 °C. Density functional theory (DFT) calculations were used to study the electronic structure information of these iridium(III) complexes. Organic light emitting diodes (OLEDs) based on these complexes as dopant emissive materials were fabricated. Among them the device based on Ir1 has a maximum current efficiency and external quantum efficiency of 15.67 cd A?1 and 10.06%, respectively. The device with low efficiency and EQE roll-off that 97–99% efficiency and EQEmax maintained at 1000 cd m?2. Meanwhile, the CIE(x,y) coordinates of these extended complexes were (0.65, 0.33), (0.66, 0.33) and (0.68, 0.31), respectively. These data were very close to the standard red emission required by National Television System Committee (NTSC) (0.67, 0.33). These results suggest that these materials have potential application in OLEDs.
- Liu, Lei,Mei, Qun-bo,Tong, Bi-hai,Yang, Jiu-chang,Ye, Shang-hui
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- COMPOUNDS WITH ANTIMICROBIAL ACTIVITY
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Provided herein are compounds useful in the treatment of bacterial infections, pharmaceuticals comprising the same, and methods of use and preparation thereof.
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Paragraph 0245-0247
(2020/01/24)
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- Discovery of Antibacterials That Inhibit Bacterial RNA Polymerase Interactions with Sigma Factors
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Formation of a bacterial RNA polymerase (RNAP) holoenzyme by a catalytic core RNAP and a sigma (σ) initiation factor is essential for bacterial viability. As the primary binding site for the housekeeping σ factors, the RNAP clamp helix domain represents an attractive target for novel antimicrobial agent discovery. Previously, we designed a pharmacophore model based on the essential amino acids of the clamp helix, such as R278, R281, and I291 (Escherichia coli numbering), and identified hit compounds with antimicrobial activity that interfered with the core-σ interactions. In this work, we rationally designed and synthesized a class of triaryl derivatives of one hit compound and succeeded in drastically improving the antimicrobial activity against Streptococcus pneumoniae, with the minimum inhibitory concentration reduced from 256 to 1 μg/mL. Additional characterization of antimicrobial activity, inhibition of transcription, in vitro pharmacological properties, and cytotoxicity of the optimized compounds demonstrated their potential for further development.
- Ye, Jiqing,Chu, Adrian Jun,Harper, Rachel,Chan, Shu Ting,Shek, Tsun Lam,Zhang, Yufeng,Ip, Margaret,Sambir, Mariya,Artsimovitch, Irina,Zuo, Zhong,Yang, Xiao,Ma, Cong
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p. 7695 - 7720
(2020/07/21)
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- Naked eye detection of anions by 2,2¤-bianthracene derivative bearing urea groups in various organic solvents
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A highly fluorescent 2,2¤-bianthryl derivative bearing urea groups (2) was prepared as an anion receptor. The UV-vis and fluorescence titrations of 2 in various organic solvents revealed that the association constants (K11) were correlated with acceptor number and Swain acity of the solvents used, and tetrahydrofuran was found to strongly enhance the K11 for Cl1 and AcO1 due to enthalpy driven complexation, in which naked eye detection of AcO1 was achieved.
- Kondo, Shin-ichi,Osawa, Kohei,Tagaya, Hideyuki
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supporting information
p. 290 - 294
(2020/04/10)
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- A facile greener synthesis, antimicrobial evaluation and molecular modelling of new 4-aryl-2-(3-(2-(trifluoromethyl)phenyl)-1,8-naphthyridin-2-yl)phthalazin-1(2H)-one derivatives
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Abstract: The synthesis of 4-aryl-2-(3-(2-(trifluoromethyl)phenyl)-1,8-naphthyridin-2-yl)phthalazin-1(2H)-ones was performed by cyclization of 2-hydrazinyl-3-(2-(trifluoromethyl)phenyl)-1,8-naphthyridine with 2-aroylbenzoic acids in ethanol containing a catalytic amount of concentrated sulfuric acid under solid state conditions. All these synthesized compounds (8a–h) were screened for their in vitro antibacterial activity against gram-positive bacteria such as (Staphylococcus aureus) and gram-negative bacteria (Escherichia coli) and also evaluated for their antifungal activity against Aspergillus Niger and Helmenthosphorium oryzae fungal strains. Some of the products demonstrate good antibacterial activity and moderate antifungal activity. In predominantly, 8b, 8d, 8g, and 8h compounds showed good to excellent antibacterial and antifungal activities. The antimicrobial activity of the compound 8 was further investigated with the help of in LibDock score docking study to predict the active sites. Graphical abstract: [Figure not available: see fulltext.].
- Sakram, Boda,Ravi, Dharavath,Raghupathi, Mutyala,Kumar, Boda Sathish,Anantha Lakshmi
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p. 2007 - 2022
(2019/01/10)
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- Method for preparation of 10, 10-bisubstituted-3-bromo anthrone
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The invention provides a method for the preparation of 10, 10-bisubstituted-3-bromo anthrone, and belongs to the field of organic chemistry. According to the method, phthalic anhydride and bromobenzene are used as raw materials, the raw materials are sequentially subjected to a ring opening reaction, a reduction reaction, an esterification reaction, a tert alcoholization reaction, a cyclization reaction and an oxidation reaction, and 10, 10-bisubstituted-3-bromo anthrone is obtained. The raw materials in the method are cheap and easily obtained, reaction conditions are simple, and the tolerance to a bromine-containing functional group is good.
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Paragraph 0017; 0019-0022
(2018/04/03)
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- Synthesis and Biological Evaluation of New Phthalazinone Derivatives as Anti-Inflammatory and Anti-Proliferative Agents
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The chemistry of phthalazine derivatives has been of increasing interest since many of these compounds have found many chemotherapeutic applications. So this study aims to synthesize a library of phthalazine derivatives and to investigate their anti-inflammatory and anti-proliferative activities. Sixteen new phthalazinone derivatives (2a-p) were synthesized and tested for their in vitro antiproliferative and in vivo anti-inflammatory activities. All the synthesized compounds were identified and characterized by IR, 1H NMR, 13C NMR spectroscopy, and MS. Two compounds, 2b and 2i, showed significant anti-inflammatory activity comparable with that of the standard drug etoricoxib in the carrageenan-induced rat paw edema model at 3 and 5 h, respectively. Three compounds (2h, 2j, and 2g) showed moderate sensitivity toward the renal cancer cell line UO-31. A library of new phthalazone compounds (2a-p) was synthesized as dual inhibitors (COX-2/LOX-5) and evaluated for their anti-inflammatory, anticancer activities. Two compounds showed significant anti-inflammatory activity comparable with that of the standard drug etoricoxib, whereas three compounds showed moderate sensitivity toward the renal cancer cell line UO-31.
- Hameed, Alhamzah Dh.,Ovais, Syed,Yaseen, Raed,Rathore, Pooja,Samim, Mohammed,Singh, Surender,Sharma, Kalicharan,Akhtar, Mymona,Javed, Kalim
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p. 150 - 159
(2016/02/09)
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- Antiaromatic compounds and organic light-emitting device comprising the same
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The present invention relates to an anti-aromatic compound and an organic light emitting device comprising the same. According to one embodiment of the present invention, provided is an anti-aromatic compound represented by chemical formula 1. The organic light emitting device comprising the anti-aromatic compound can obtain high efficiency and long lifespan properties.COPYRIGHT KIPO 2016
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Paragraph 0413-0415
(2016/10/10)
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- Synthesis and biological evaluation of 4-arylphthalazones bearing benzenesulfonamide as anti-inflammatory and anti-cancer agents
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Nine 4-arylphthalazones bearing benzenesulfonamide (2a-i) were synthesized by the condensation of the appropriate 2-aroylbenzoic acid (1a-i) and 4-hydrazinobenzenesulfonamide in ethanol. The structures of these compounds were elucidated by elemental analysis, IR, 1H NMR, 13C NMR, and MS spectroscopy. Two compounds, 2b and 2i, showed significant anti-inflammatory activity comparable to that of the standard drug celecoxib in the carrageenan-induced rat paw edema model. These compounds (2b and 2i) had selective inhibitory activity towards the COX-2 enzyme. Compound 2b had a better selectivity ratio (COX-1/COX-2) compared to that of celecoxib and can be used as a novel template for the design of selective COX-2 inhibitors. Compounds 2d and 2i were screened for their antiproliferative activity toward 60 human cancer cell lines by the National Cancer Institute (USA). The compounds 2d and 2i displayed mild activity toward the renal cancer cell line UO-31. Nine 4-arylphthalazones bearing benzenesulfonamide (2a-i) were synthesized by the condensation of the appropriate 2-aroylbenzoic acid (1a-i) and 4-hydrazinobenzenesulfonamide in ethanol. Compounds 2b and 2i showed anti-inflammatory activity comparable to that of celecoxib in the carrageenan-induced rat paw edema model. Compounds 2d and 2i were screened for their antiproliferative activity towards 60 human cancer cell lines, displaying mild activity toward the renal cancer cell line UO-31. Copyright
- Yaseen, Shafiya,Ovais, Syed,Bashir, Rafia,Rathore, Pooja,Samim, Mohammed,Singh, Surender,Nair, Vinod,Javed, Kalim
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p. 491 - 498
(2013/07/26)
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- Palladium-catalyzed chemoselective decarboxylative ortho acylation of benzoic acids with α-oxocarboxylic acids
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Palladium-catalyzed chemoselective decarboxylative cross coupling of benzoic acids with α-oxocarboxylic acids was realized via an arene sp 2 C-H functionalization process. This work represents the first example of transition-metal-catalyzed cro
- Miao, Jinmin,Ge, Haibo
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supporting information
p. 2930 - 2933
(2013/07/26)
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- 2-Hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic Acid with Inbuilt β-NHydroxy-γ-keto-Acid pharmacophore as HCV NS5B polymerase inhibitors
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The inbuilt 2-N-hydroxy-1-oxo-3-carboxylic acid of isoquinolone was designed as pyrophosphate mimic for hepatitis C NS5B polymerase. Various 2-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid derivatives 11a-p were synthesized and evaluated as HCV NS5B polymerase inhibitors. Compound 11c exhibited moderate inhibitory potency based on the inorganic pyrophosphate generation (IC50 = 9.5 μM) and based on NTP incorporation by NS5B enzyme (IC50 = 5.9 μM). Compound 11c demonstrated antiviral activity (EC50 = 15.7 μM) and good selectivity in HCV genotype 1b replicon Ava.5 cells. Compound 11c reduced the interaction of NTP to NS5B polymerase. Docking model showed that 11c situated in similar orientation to the bound uridine triphosphate in the active site of NS5B polymerase. As a result, 2-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid was disclosed as a novel inbuilt β-Nhydroxy-γ-keto-acid pharmacophore for HCV NS5B polymerase inhibitors.
- Deore,Chen,Chen,Chang,Chuang,Chern,Wang,Chern
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body text
p. 613 - 624
(2012/07/28)
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- New Therapeutic Agents
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A compound of formula (I) or a compound of formula (II) or pharmaceutically acceptable salts thereof, wherein R1-R7 and X are as defined in the description, and the use of these compounds in therapy, in particular in treating cancer or as an inhibitor of the interaction of the MDM2 protein with p53.
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Page/Page column 43
(2011/10/04)
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- A rapid and efficient access to diaryldibenzo[b,f][1,5]diazocines
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2-Benzoylbenzoyl azides undergo facile cyclization under acidic conditions to give substituted dibenzo[b,f][1,5]-diazocines in good yields. This approach shortens the synthetic steps toward these compounds as compared with conventional methods. The mechanism of the diazocine synthesis is assumed to proceed by an unprecedented intermolecular [2 + 2] cyclization.
- Wang, Xiao,Li, Jianzhong,Zhao, Na,Wan, Xiaobo
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supporting information; experimental part
p. 709 - 711
(2011/04/24)
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- Efficient synthesis of isobenzofuran-1(3H)-ones (Phthalides) and selected biological evaluations
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The studies presented here deal with the convenient and efficient one-step conversion of o-alkylbenzoic acids into their corresponding isobenzofuran-1 (3H)-ones (phthalides) using NaBrO3/NaHSO3 in a two-phase system. A range of o-alkylbenzoic acids was used with the object of getting a variety of phthalide derivatives as multipurpose biologically active compounds. Seventeen phthalides have been synthesized and tested for cytotoxicity, antibacterial and antifungal activities. Some of these compounds showed promising cytotoxic effects against Artemia salina. Compounds 4j-4p were highly active against Gram-negative and Gram-positive bacteria among all tested compounds. In the fungicidal assay, the compounds showed a broad spectrum of activity against six fungi. All compounds were characterized via elemental analysis, UV, IR, mass and-NMR spectroscopy. ECV · Editio Cantor Verlag.
- Bayer, Ernst,Hayat, Safdar,Atta-Ur-Rahman,Choudhary, M. Iqbal,Khan, Khalid Mohammed,Shah, Syed Tasadaque Ali,Imran-Ul-Haq,Anwar, M. Usman,Voelter, Wolfgang
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p. 588 - 597
(2007/10/03)
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- Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: New lead compounds for the development of anticancer agents
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Nonsteroidal anti-inflammatory drugs (NSAIDs) like indomethacin, flufenamic acid, and related compounds have been recently identified as potent inhibitors of AKR1C3. We report that some other NSAIDs (diclofenac and naproxen) also inhibit AKR1C3, with the IC50 values in the low micromolar range. In order to obtain more information about the structure-activity relationship and to identify new leads, a series of compounds designed on the basis of NSAIDs were synthesized and screened on AKR1C3. The most active compounds were 2-[(2,2-diphenylacetyl)amino]benzoic acid 4 (IC50 = 11 μM) and 3-phenoxybenzoic acid 10 (IC50 = 0.68 μM). These compounds represent promising starting points for the development of new anticancer agents.
- Gobec, Stanislav,Brozic, Petra,Rizner, Tea Lanisnik
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p. 5170 - 5175
(2007/10/03)
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- An alternative route to syntheses of aryl keto acids in a chloroaluminate ionic liquid
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The Lewis acidic 1-butyl-3-methylimidazolium chloroaluminate ionic liquid [bmim]Cl.AlCl3, N=0.67, is employed as a catalyst as well as the solvent for the quick and efficient syntheses of aryl keto acids by Friedel-Crafts acylation and aroylation of aromatic hydrocarbons using cyclic acid anhydrides.
- Mohile, Swapnil S.,Potdar, Mahesh K.,Salunkhe, Manikrao M.
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p. 650 - 651
(2007/10/03)
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- An alternative method for the synthesis of γ-lactones by using cesium fluoride-celite/acetonitrile combination
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A variety of 2-(1-bromoalkyl) benzoic acids 4 undergo intramolecular nucleophilic substitution reaction when treated with a CsF-Celite as solid base in acetonitrile under reflux condition to give the corresponding cyclized phthalides in moderate to very good yield. These 2-(1-bromoalkyl) benzoic acids 4 are formed by the α-bromination of 2-alkylbenzoic acids 3 using N-bromosuccinimide and a catalytic amount of α,α′ -azoisobutyronitrile in carbon tetrachloride under reflux.
- Khan, Khalid Mohammed,Hayat, Safdar,Zia-Ullah,Atta-ur-Rahman,Iqbal-Choudhary,Maharvi, Ghulam Murtaza,Bayert, Ernst
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p. 3435 - 3453
(2007/10/03)
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- Friedel-crafts alkylation and acylation in the absence of solvent
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A short and efficient synthetic route, for alkylation and acylation of aromatic compounds in the absence of solvent is developed. According to the reaction system and conditions used, different alkyl-, and acyl arenes are obtained in moderate to good yields. The structures are assigned by 1H and 13C NMR spectroscopy.
- Ghiaci,Asghari
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p. 2213 - 2220
(2007/10/03)
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