- ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-I' PATHWAY AND METHODS OF USE THEREOF
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The present invention is directed to compounds of Formula (I), which are activators of the RIG-I pathway.
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Page/Page column 55
(2020/03/05)
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- ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-I" PATHWAY AND METHODS OF USE THEREOF
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The present invention is directed to compounds of Formula (I), which are activators of the RIG-I pathway.
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Paragraph 0438
(2020/03/01)
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- 1-Aryl-3-(4-methoxybenzyl)ureas as potentially irreversible glycogen synthase kinase 3 inhibitors: Synthesis and biological evaluation
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Glycogen synthase kinase 3 (GSK-3)has become known for its multifactorial involvement in the pathogenesis of Alzheimer's disease. In this study, a benzothiazole- and benzimidazole set of 1-aryl-3-(4-methoxybenzyl)ureas were synthesised as proposed Cys199-targeted covalent inhibitors of GSK-3β, through the incorporation of an electrophilic warhead onto their ring scaffolds. The nitrile-substituted benzimidazolylurea 2b (IC50 = 0.086 ± 0.023 μM)and halomethylketone-substituted benzimidazolylurea 9b (IC50 = 0.13 ± 0.060 μM)displayed high GSK-3β inhibitory activity, in comparison to reference inhibitor AR-A014418 (1, IC50 = 0.072 ± 0.043)in our assay. The results suggest further investigation of 2b and 9b as potential covalent inhibitors of GSK-3β, since a targeted interaction might provide improved kinase-selectivity.
- Venter, Jana,Perez, Concepción,van Otterlo, Willem A.L.,Martínez, Ana,Blackie, Margaret A.L.
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p. 1597 - 1600
(2019/05/02)
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- 5,5′-Dibenzoimidazole as building block for a new 3D Co(II) coordination polymer: A combined EPR and DFT study using UB3LYP model
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A new Co(II) three-dimensional coordination polymer, [Co(L)(L′)]n (1) [where L = 5,5′-dibenzoimidazole, and L′ = doubly deprotonated terephthalic acid] has been synthesized hydro(solvo)thermally and its molecular and crystal structure have been elucidated through single crystal X-ray diffraction analysis. Each Co(II) ion displays a slightly distorted trigonal bipyramidal geometry, the apical positions being occupied by the nitrogen atoms of two symmetry-related dibenzoimidazole ligands, while the oxygen atoms from three distinct terephthalic acids are in the equatorial plane. Considering the Co2C2O6 dimeric moieties as nodes, and the ancillary ligands as connectors, the structure can be simplified as a 8-c uninodal net of the type bcu, body centered cubic, with point symbol {424·64} and vertex symbol [4·4·4·4·4·4·4·4·4·4·4·4·4(3)·4(3)·4(3)·4(3)·4(3)·4(3)·4(3)·4(3)·4(3)·4(3)·4(3)·4(3)·*·*·*·*]. The EPR spectra for 1 have been reported, showing g|| = 2.176 and g⊥ = 2.052 at RT (room temperature), and g|| = 2.172 and g⊥ = 2.060 at LNT (liquid nitrogen temperature). Finally, the electronic nature of the molecular geometry of 1 has been explored by DFT computation applying the UB3LYP/def2-TZVP level of theory, showing the energy difference between the high spin and low spin configurations.
- Datta, Amitabha,Massera, Chiara,Garribba, Eugenio,Frontera, Antonio
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p. 473 - 479
(2019/08/26)
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- Excellent photocatalytic reduction of nitroarenes to aminoarenes by BiVO4 nanoparticles grafted on reduced graphene oxide (rGO/BiVO4)
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A novel heterogeneous composite material based on reduced graphene oxide (rGO) and bismuth vanadate (BiVO4) was prepared and characterized by various techniques such as powder XRD, HRTEM, EADX, UV–Vis-DRS, FT-IR, Raman, BET and XPS analyses. The characterization results reveal that the rGO well decorated by BiVO4. The electrochemical impedance spectroscopy (EIS) shows the increasing of charge transfer of rGO/BiVO4 in presence of light irradiation. In this research, the pure BiVO4 and rGO/BiVO4 composite have been explored for photocatalytic reduction of nitroarenes. Among the prepared nanocomposites, rGO loaded with 10% BiVO4 catalyst (noted as rGO/BiVO4–10%) shows the best performance for the photo-reduction of various nitroaromatic molecules to their corresponding amine compounds under visible-light irradiation at room temperature. The catalyst exhibited in particular excellent photocatalytic activity for the conversion of 1,4-dinitrobenzene to 4-nitroanilline (100% conversion) in 20?min, 4-chloronitrobenzene to 4-chloroaniline and 2-nitrophenol to 2-aminophenol (100% conversion) in only 30?min. In addition, the conversion of 4-bromonitrobenzene, 4-iodonitrobenzene to their corresponding amine compounds (100% conversion) was achieved in 60?min. The catalyst was recovered for several times and reused without decreasing of its efficiency.
- Azad, Roya,Bezaatpour, Abolfazl,Amiri, Mandana,Eskandari, Habibollah,Nouhi, Sima,Taffa, Dereje H.,Wark, Michael,Boukherroub, Rabah,Szunerits, Sabine
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- A green and recyclable ligand-free copper (I) catalysis system for amination of halonitrobenzenes in aqueous ammonia solution
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The amination of halonitrobenzenes is an important reaction to produce the corresponding nitroanilines. Direct amination of p-chloronitrobenzene (p-CNB) to p-nitroaniline (p-NAN) with aqueous NH3 solution was investigated over various transition metal salts in the absence of ligand, inorganic base and organic solvent. It was found that CuI is the most effective catalyst with respect to p-CNB conversion, p-NAN selectivity (≈ 100%) and the post-reaction separation and recycling. A high p-NAN yield of 97% could be obtained at 200 °C in 6.5 h with molar ratios of NH3/p-CNB and CuI/p-CNB of 21 and 0.1, respectively. A possible reaction mechanism was proposed, in which NH3 was not only a substrate but also a ligand to coordinate with CuI and formed a water-soluble Cu complex, and then it started the catalytic cycle. The influence of reaction variables such as NH3 concentration, CuI concentration, temperature and time on the p-CNB conversion and the p-NAN selectivity was examined. At room temperature the desired product of p-NAN is insoluble in water but the Cu complex catalyst is water-soluble and so the aqueous phase including the catalyst and NH3 can be easily separated and reused for the subsequent reaction runs. The green and sustainable system is effective for the conversion of diverse halonitrobenzenes to nitroanilines.
- Li, Yan,Shi, Ruhui,Lin, Weiwei,Cheng, Haiyang,Zhang, Chao,Arai, Masahiko,Zhao, Fengyu
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- Novel cathepsin K inhibitors block osteoclasts in vitro and increase spinal bone density in zebrafish
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Cathepsin K (Cat K) is a predominant cysteine protease and highly potent collagenase expressed in osteoclasts. Cat K inhibitors are anti-resorptive agents to treat osteoporosis. A novel scaffold of cathepsin K inhibitors, exemplified by lead compound 1x, was used as the template for designing and synthesizing a total of 61 derivatives that have not been reported before. An exploratory structure-activity relationship analysis identified the potent Cat K inhibitor A22, which displayed an IC50 value of 0.44 μM against Cat K. A22 was very specific for Cat K and caused a significantly higher in vitro inhibition of the enzyme as compared to that of lead compound 1x. A surface plasmon resonance analysis confirmed in vitro binding of A22 to Cat K. Molecular docking studies indicated several favourable interaction sites for A22 within the active pocket of Cat K. Furthermore, A22 also blocked active osteoclasts in vitro and increased spinal bone density in zebrafish, in which it showed an activity that was higher than that of the marketed therapeutic bone metabolizer etidronate disodium. A22 represents a very promising lead compound for the development of novel antiresorptive agents functioning as orthosteric inhibitors of Cat K.
- Xue, Si-Tu,Wang, Ya-Li,Han, Xiao-Wan,Yi, Hong,Jiang, Wei,Si, Shu-Yi,Guo, Hui-Fang,Li, Zhuo-Rong
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p. 8600 - 8607
(2019/03/21)
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- Recyclable aluminium oxy-hydroxide supported Pd nanoparticles for selective hydrogenation of nitro compounds via sodium borohydride hydrolysis
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The reduction of aromatic/aliphatic nitro compounds to primary amines with high yields was easily realized by transfer hydrogenation comprising commercially available aluminium oxy-hydroxide-supported Pd nanoparticles (0.5 wt% Pd, Pd/AlO(OH)) as catalysts and NaBH4 as the hydrogen reservoir at room temperature in a water/methanol mixture (v/v = 7/3). The presented catalytic methodology is highly efficient for the reduction of various nitro compounds as well as reusable. A variety of R-NO2 derivatives were tested by performing the Pd/AlO(OH) catalysed reduction reaction and all the nitro compounds were selectively reduced to their corresponding primary amines in reaction times ranging from 0.75 to 13 min with yields reaching up to 99%. This process can be assessed as an eco-friendly method involving both reusable catalysts (Pd/AlO(OH) NPs) and hydrogen sources (NaBH4).
- G?ksu, Haydar
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p. 8498 - 8504
(2015/11/10)
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- Acid-catalyzed hydrolysis of 5-substituted-1H,3H-2,1,3-benzothiadiazole 2,2-dioxides (5-substituted benzosulfamides): Kinetic behavior and mechanistic interpretations
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The acid-catalyzed hydrolysis of a series of 5-substituted-1H,3H-2,1,3-benzothiadiazole 2,2-dioxides has been investigated in aqueous solutions of sulfuric, perchloric, and hydrochloric acid at 85.0 ± 0.05 °C. Analysis of the kinetic data by the excess acidity method, Arrhenius parameters, the order of the catalytic effects of strong acids, the kinetic deuterium isotope effect, and the substituent effect have indicated that the hydrolysis of 5-substituted benzosulfamides 1a, 1b, 1c, 1d occur with a mechanistic switchover from A2 to A1 in the studied range: an A2 mechanism in low acidity regions and an A1 mechanism in high acid concentrations.
- Gediz Erturk, Aliye,Bekdemir, Yunus
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supporting information
p. 358 - 364
(2015/05/05)
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- Gold supported on titania for specific monohydrogenation of dinitroaromatics in the liquid phase
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Liquid-phase selective monohydrogenation of various substituted dinitroaromatics to the corresponding valuable nitroanilines was investigated on gold-based catalysts. Special attention was paid to the effect of Au particle size on this monoreduction reaction. Interestingly, TiO2 supported gold catalysts containing a relatively larger mean Au particle size (>5 nm) showed far superior chemoselectivity for specific mono-hydrogenation of dinitroaromatics, with the highest performance attainable for the catalyst bearing Au particles of ca. 7.5 nm. Results in the intermolecular competitive hydrogenation showed that the intrinsic higher accumulation rates of the desired nitroanilines associated with the catalyst possessing larger Au particles were responsible for the high chemoselectivity observed. the Partner Organisations 2014.
- Liu, Shuang-Shuang,Liu, Xiang,Yu, Lei,Liu, Yong-Mei,He, He-Yong,Cao, Yong
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p. 4162 - 4169
(2014/09/29)
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- MK2 INHIBITORS AND USES THEREOF
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The present invention provides compounds, compositions thereof, and methods of using the same.
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Paragraph 001201
(2014/10/03)
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- A new class of heterogeneous platinum catalysts for the chemoselective hydrogenation of nitroarenes
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A new series of nanostructured platinum catalysts able to catalyze the selective reduction of nitroarenes has been developed. The materials, made of organosilica physically doped with nanostructured platinum(0), are stable and efficient. Reactions in general proceed with high yield and often go to completion, while the catalysts can be reused in further reaction runs. This establishes a new class of relevant solid catalysts for synthetic organic chemistry named SiliaCat Platinum-Hydrogel.
- Pandarus, Valerica,Ciriminna, Rosaria,Beland, Francois,Pagliaro, Mario
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scheme or table
p. 1306 - 1316
(2011/06/25)
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- Bakers' yeast-catalyzed ring opening of benzofuroxans: An efficient green synthesis of aryl-1,2-diamines
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A simple and inexpensive method for the reductive cleavage of N-O bond of benzofuroxans with bakers' yeast under nonfermenting condition in aqueous media was achieved. The procedure gives excellent yields of aryl-1,2-diamines. Copyright Taylor & Francis Group, LLC.
- Borah, Harsha N.,Prajapati, Dipak,Boruah, Romesh C.
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scheme or table
p. 267 - 272
(2009/04/07)
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- Selective partial hydrogenation of dinitrobenzenes to nitroanilines catalyzed by Ru/C
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Ru/C was found to be a highly effective catalyst for the selective partial hydrogenation of a range of dinitrobenzenes to their corresponding nitroanilines with excellent selectivity under mild conditions. Furthermore, the effect from other substitute groups of dinitrobenzenes on partial hydrogenation was also explored in this study. Copyright
- Hou, Jie,Ma, Yonghuan,Li, Yuhan,Guo, Fang,Lu, Lianhai
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scheme or table
p. 974 - 975
(2009/04/06)
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- A Convenient, Efficient, and Environmentally Benign Method for Preparing Nitroanilines
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An efficient method for the catalytic monoreduction of aromatic dinitro compounds to nitroanilines is reported. In the presence of selenium catalyst, the dinitroaromatic compounds are selectively reduced by CO/H2O to the corresponding nitroanilines under atmospheric pressure. The mono-reduction occurs in high selectivity regardless of the substitution groups on the aromatic ring without affecting other reducible functional groups.
- Liu, Xiao-Zhi,Lu, Shi-Wei
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p. 1142 - 1143
(2007/10/03)
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- Hair dye preparations containing substantive nitrodiphenylamine derivatives
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This invention encompasses compounds of the formula: STR1 wherein: one of R1 or R2 is nitro and the other is --SO3 H or COOH; and one of R3 or R4 is hydrogen and the other is --NR5 R6, where R5 and R6 independently are hydrogen, C1-4 alkyl, or C2-4 hydroxyalkyl; or a water soluble salt thereof; hair dye preparations containing the above compounds as substantive hair dyes; and methods for dyeing hair using such preparations.
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- PARTIAL REDUCTION OF DINITROARENES TO NITROANILINES WITH HYDRAZINE HYDRATE.
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Dinitroarenes containing substituents such as hydroxyl and amine groups could be conveniently reduced with 3 molar equivalents of hydrazine hydrate in presence of Raney nickel catalyst in ethanol/1,2-dichloro-ethane solvent mixture to give a product wherein one of the two nitro groups was reduced to the amino group. The yields of the partial reduction products are good. Under similar conditions alkoxyl substitutes in the o,p-position to the nitro groups were displaced by the hydrazine to give 2,4-dinitrophenyl-hydrazine as the main product. The details of the reduction reaction are described.
- Avyyangar,Kalkote,Lugade,Nikrad,Sharma
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p. 3159 - 3164
(2007/10/02)
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- Process for the manufacture of benzimidazolones-(2)
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Process for the manufacture of benzimidazolones-(2) wherein an o-phenylenediamine is reacted with optionally alkylated urea in the ratio of 1 to 1.3 moles per mole o-phenylenediamine in an organic solvent which has a solubility in water of not more than 5 g/l and has a boiling point above 100° C, at a temperature between 100° and 200° C.
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- Perfluoroalkyl benzodiazepines
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New perfluoroalkyl derivatives of benzodiazepine are prepared by reacting an orthophenylenediamine with a beta-diketone at least one of whose alkyls is a C1 - C15 perfluoroalkyl. The stable products are useful as heat-exchange substances and as surfactants in organic solution.
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