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The invention relates to novel compounds which are naphthalene diimides of general formula (I). The compounds are used in therapy, particularly in cancer treatment.

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In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 27578-60-5, name is N-(2-Aminoethyl)piperidine, introducing its new discovery. Recommanded Product: N-(2-Aminoethyl)piperidine

This investigation presents the syntheses, crystal structures, magnetic properties, and density functional theoretical modeling of magnetic behavior of two heterobridged mu-phenoxo-mu1,1-azido dinickel(II) compounds [NiII2(L1)2(mu1,1- N3)(N3)(H2O)]?CH3CH 2OH (1) and [NiII2(L2) 2(mu1,1-N3)(CH3CN)(H 2O)](ClO4)?H2O?CH3CN (2), where HL1 and HL2 are the [1 + 1] condensation products of 3-methoxysalicylaldehyde and 1-(2-aminoethyl)-piperidine (for HL 1)/4-(2-aminoethyl)-morpholine (for HL2), along with density functional theoretical magneto-structural correlations of mu-phenoxo-mu1,1-azido dinickel(II) systems. Compounds 1 and 2 crystallize in orthorhombic (space group Pbca) and monoclinic (space group P21/c) systems, respectively. The coordination environments of both metal centers are distorted octahedral. The variable-temperature (2-300 K) magnetic susceptibilities at 0.7 T of both compounds have been measured. The interaction between the metal centers is moderately ferromagnetic; J = 16.6 cm-1, g = 2.2, and D = -7.3 cm-1 for 1 and J = 16.92 cm-1, g = 2.2, and D(Ni1) = D(Ni2) = -6.41 cm-1 for 2. Broken symmetry density functional calculations of exchange interaction have been performed on complexes 1 and 2 and provide a good numerical estimate of J values (15.8 cm-1 for 1 and 15.35 cm-1 for 2) compared to experiments. The role of Ni-N bond length asymmetry on the magnetic coupling has been noted by comparing the structures and J values of complexes 1 and 2 together with previously published dimers 3 (Eur. J. Inorg. Chem. 2009, 4982), 4 (Inorg. Chem. 2004, 43, 2427), and 5 (Dalton Trans. 2008, 6539). Our extensive DFT calculations reveal an important clue to the mechanism of coupling where the orientation of the magnetic orbitals seems to differ with asymmetry in the Ni-N bond lengths. This difference in orientation leads to a large change in the overlap integral between the magnetic orbitals and thus the magnetic coupling. DFT calculations have also been extended to develop several magneto-structural correlations in this type of complexes and the correlation aim to focus on the asymmetry of the Ni-N bond lengths reveal that the asymmetry plays a proactive role in governing the magnitude of the coupling. From a completely symmetric Ni-N bond length, two behaviors have been noted: with a decrease in bond length there is an increase in the ferromagnetic coupling, while an increase in the bond lengths leads to a decrease in ferromagnetic interaction. The later correlation is supported by experiments. The magnetic properties of 1, 2, and three previously reported related compounds have been discussed in light of the structural parameters and also in light of the theoretical correlations determined here.

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The bromodomain and extra-terminal domain (BET) family of proteins are readers which specifically recognize histone-acetylated lysine residues. Each BET bromodomain protein contains two highly homologous domains: the first bromodomain (BD1) and the second bromodomain (BD2). Pan-BET bromodomain inhibition is a potential therapy for various cancers and immune-inflammatory diseases, but only few reported inhibitors show selectivity within the BET family. Herein, we identified a series of benzo[cd]indol-2(1H)-ones and pyrrolo[4,3,2-de]quinolin-2(1H)-ones with good selectivity for BET BD1. Through structure-based optimization, highly active and selective compounds are ultimately obtained. The representative compounds are the first reported inhibitors with selectivity more than 100-fold for BRD4(1) over BRD4(2). Among them, we further show that 68 (LT052) mediates BRD4/NF-kappaB/NLRP3 signaling inflammatory pathways with comparable protein expression and significantly improves symptoms of gout arthritis in a rat model. Therefore, selective pharmacological modulation of individual bromodomains could represent a strategy for the treatment of acute gouty arthritis.

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A series of coumarin and quinolinone-3-aminoamide derivatives was synthesized and evaluated for its potency in inhibition of cancer cell growth. The structure of N-[2-(dimethylamino) ethyl]-4-hydroxy-2-oxo-1-phenyl-1,2- dihydroquinoline-3-carboxamide was unambiguously confirmed by X-ray diffraction analysis, which revealed the cis conformation of the amide bond resulting from the presence of two intramolecular hydrogen bonds. Graphical Abstract: [Figure not available: see fulltext.]

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The discovery and structure-activity relationship of a novel series of indole-2-carboxamide antagonists of the cannabinoid CB1 receptor is disclosed. Compound 26i was found to be a high potency, selective cannabinoid CB1 antagonist.

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The present invention relates to aminoalkyl-substituted aromatic bicyclic compounds of formula I, 1 which are valuable pharmaceutically active compounds that are suitable, for example, for the treatment of obesity, type II diabetes, arteriosclerosis, high blood pressure, paresthesia, depression, anxiety, anxiety neuroses, schizophrenia, disorders associated with the circadian rhythm, and drug abuse, as well as normalizing lipid metabolism.

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Two sets of benzotriazinone and benzoyltriazole derivatives were prepared and tested for local anaesthetic activity in comparison with lidocaine. Several of the prepared compounds exhibited a fairly good activity comparable or superior to that of lidocaine. The presence of a benzotriazinone or a benzoyltriazole moiety as an aromatic system was quite profitable for both the intensity and duration of activity. The acute toxicity in mice of the four most potent compounds of the series was also assessed. Compound 1b, which has an anaesthetic activity comparable to that of lidocaine, was also characterized by a more favourable therapeutic index. All compounds were tested in vitro to evaluate their negative chronotropic action in isolated rat right atria.

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The invention relates to the field of pharmaceutical chemistry, relates to isoflavone amide derivatives, its preparation process and medical application, in particular to a group of general formula (I) of the amide derivatives of isoflavone, process for their preparation, pharmaceutical compositions containing these compounds and their medical use, especially as the prevention or treatment of hyperlipidemia, obesity or diabetes type II the use of the medicament. (by machine translation)

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Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 27578-60-5, molcular formula is C7H16N2, introducing its new discovery. Computed Properties of C7H16N2

The solid charge-transfer molecular complexes formed in the reaction of the electron donor 1-(2-aminoethyl) piperidine (AEP) with the sigma-acceptor iodine and pi-acceptors 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), 7,7,8,8-tetracyanoquinodimethane (TCNQ) and 2,4,4,6-tetrabromo-2,5- cyclohexadienone (TBCHD)were studied in chloroform at 25 0C. These were investigated through electronic spectra, infrared spectra, thermal and elemental analysis. The obtained results showed that the formed solid CT-complexes have the formulas [(AEP)I]+I3-, [(AEP)(DDQ) 2], [(AEP)(TCNQ)2] and [(AEP)(TBCHD)] in full agreement with the known reaction stoichiometries in solution as well as the elemental measurements. The formation constant KCT (L mol-1), the molar extinction coefficient *CT (L mol-1 cm -1), the free energy change DeltaG (cal mol-1), the charge transfer energy ECT, and the ionization potential Ip were calculated for the CT-complexes [(AEP)I]+I3-, [(AEP)(DDQ) 2], [(AEP)(TCNQ)2] and [(AEP)(TBCHD)].

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A novel class of benzoheterocyclic analogues of amodiaquine designed to avoid toxic reactive metabolite formation was synthesized and evaluated for antiplasmodial activity against K1 (multidrug resistant) and NF54 (sensitive) strains of the malaria parasite Plasmodium falciparum. Structure-activity relationship studies led to the identification of highly promising analogues, the most potent of which had IC50s in the nanomolar range against both strains. The compounds further demonstrated good in vitro microsomal metabolic stability while those subjected to in vivo pharmacokinetic studies had desirable pharmacokinetic profiles. In vivo antimalarial efficacy in Plasmodium berghei infected mice was evaluated for four compounds, all of which showed good activity following oral administration. In particular, compound 19 completely cured treated mice at a low multiple dose of 4 × 10 mg/kg. Mechanistic and bioactivation studies suggest hemozoin formation inhibition and a low likelihood of forming quinone-imine reactive metabolites, respectively.

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