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2-Amino-6-t-butyl-4,5,6,7-tetrahydrobenzothiazole (II), obtained from 4-t-butylcyclohexanone and thiourea, on condensation with alpha-haloketones in benzene gives the ketones III which undergo cyclization in hot ethanol to give imidazo<2,1-b>benzothiazoles (IV).Compounds IV have also been obtained in one-step by heating II with alpha-haloketones in ethanol.II on treatment with 2,3-dichloroquinoxaline and chloroacetic acid yields in one-step quinoxalino<2',3':4,5>imidazo<2,1-b>benzothiazole (V) and imidazo<2,1-b>benzothiazol-3(2H)-one (VI), respectively.The anthelmintic, antibacterial and antifungal activities of IV and V have been evaluated.

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Systems have been prepared composed of aromatic groups rigidly arranged to form ? 15 by ?20 A rectangular surfaces containing two regularly spaced protruding methyls at 3 and 9 o’clock and two methyl-sized holes at 12 and 6 o’clock (e.g., 1). These molecules form dimers with large common surfaces in which the four methyl groups insert into the four holes. The resulting complexes have 82 to 132 intermolecular atom-to-atom contacts at van der Waals distances +0.2 A (five crystal structures). Substitution of ethyls or hydrogens for the central aryl methyls eliminates complexation. Eight substituents attached at the periphery of the monomers extend the surfaces and profoundly affect the binding free energies (-DeltaG values) of the complexes, which range from <1 to >9 kcal mol-1 in CDCl3 at temperatures -30 to 25 C. Peripheral substituents with rotational degrees of freedom inhibit homodimerization. Activation free energies (DeltaG) for five dimerizations ranged from 8 to 10 kcal mol-1 and for five dissociations from 10 to 15 kcal mol-1 (in CDCl3), suggesting their transition states to be very poorly solvated. The -DeltaG values for dimerization with notable exceptions increased dramatically with solvent polarity and polarizability. Enthalpies (DeltaH values) ranged from +6 to -8 kcal mol- and entropies (DeltaH values) from -6 to +40 cal mol-1 K-1. Some dimerizations were entropy driven and enthalpy opposed, pointing to large solvophobic effects in organic media.

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2,3-Dimercaptoquinoxaline 1 was allowed to react with some dihalo compounds and chloroanil using PTC technique to afford the corresponding polyfused quinoxalines 2a-d. The reaction of compound 1 with different monohalo compounds under the same PTC conditions or in refluxing ethanol in presence of piperidine catalyst gave (1,4)dithiino-, thieno-, (1,4)thiazino-, and pyrroloquinoxalines 3a-5b. The addition of compound 1 to alpha,beta-unsaturated nitriles was investigated to give the corresponding (1,5)dithiapinoquinoxalines 6a-7b and thiapinoquinoxalines 8a,b. The treatment of compound 1 with active nitriles furnished the corresponding thienoquinoxalines 9a-c and pyridazinoquinoxaline 10.

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2,3-Dichloroquinoxaline has been cyclo-condensed with 2-aminopyridine, 2-aminothiazoles, 2-aminothiadiazoles, 2-aminobenzimidazole and 2-mercaptobenzimidazole to give the corresponding novel heterocyclic systems.The reaction of 2,3-dichloroquinoxaline with thioacetamide has also been studied.

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An unprecedented AlCl3-mediated method has been developed involving aromatic C-H bond addition to an alkyne and heteroarylation of an arene in a single pot leading to densely functionalized novel olefins, e.g. 2-(2,2-diarylvinyl)-3-arylquinoxalines, as potential inhibitors of sirtuins.

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The first synthesis of a triazaphenoxathiin system, benzo-1,4,9-triazaphenoxathiin, is reported.Attempts directed toward the total assignment of the 13C-nmr spectrum of the title compound failed to produce an unequivocal assignment.The carbons of the benzo-portion of the molecule could not be unequivocally assigned at 25.2 MHz but were subgrouped into permutable pairs of resonances on the basis of relaxation times, a result of the anisotropic reorientation of the molecule.Further attempts to complete the 13C-nmr assignment at 100 MHz by selective on-resonance decouplings in the 400 MHz 1H- nmr spectrum were also unsuccessful because of similarities on the chemical shifts of the benzo protons.Complete 1H-nmr chemical shifts and homo-nuclear spin-coupling constants were obtained using the PANIC program.

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The starting material 6-benzoyl-2,3-dichloroquinoxaline 1 is subjected to some nucleophilic reagents to study the effect of benzoyl group on the reactivity of the two chlorine atoms.

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Soluble guanylate cyclase (sGC) is a haem containing enzyme that regulates cardiovascular homeostasis and multiple mechanisms in the central and peripheral nervous system. Commonly used inhibitors of sGC activity act through oxidation of the haem moiety, however they also bind haemoglobin and this limits their bioavailability for in vivo studies. We have discovered a new class of small molecule inhibitors of sGC and have characterised a compound designated D12 (compound 10) which binds to the catalytic domain of the enzyme with a KD of 11 muM in a SPR assay.

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Quinoxaline kite velcrands were functionalized with a ureidopyrimidone moiety at the lower rim, in order to combine multiple hydrogen bonding and solvophobic interactions to build dual-coded supramolecular structures. The orthogonality of the selected binding motifs has been demonstrated by NMR studies, as well as the reversible nature of the obtained assemblies. At low concentration, the presence of a ring-chain equilibrium has been established by 1H NMR experiments, and confirmed by static and dynamic light scattering measurements. CSIRO 2010.

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Hepatitis C is a current pandemic liver disease caused by the hepatitis C virus (HCV) with high morbidity and mortality. Recently, the direct-acting antiviral agents (DAAs) targeting HCV NS3/4A, NS5A and NS5B have become the most effective therapies against HCV infection in the clinical treatment. Among them, the second-generation of NS3/4A inhibitors have emerged as the mainstay of the DAA therapies, which are derived from the peptide substrate of NS3/4A protease and modified with various tailor-made amino acids in order to achieve high sustained virologic response (SVR) against HCV. This review summarizes sixteen examples of the second-generation of HCV NS3/4A inhibitors, mainly focusing on the clinical application, structure development, structure-activity relationship (SAR) and their synthesis.

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