- 3D-QSAR design of novel antiepileptic sulfamides
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A three-dimensional quantitative structure-activity relationship method, the comparative molecular field analysis (CoMFA), was applied to design new anticonvulsant symmetric sulfamides. The training set (27 structures) was comprised by traditional and new-generation anticonvulsant (AC) ligands that exhibit a potent activity in MES test. Physicochemical determinants of binding, such as steric and electrostatic properties, were mapped onto the molecular structures of the set, in order to interpret graphically the CoMFA results in terms of field contribution maps. The 3D-QSAR models demonstrate a good ability to predict the activity of the designed compounds (r2 = 0.967, q2 = 0.756).
- Gavernet, Luciana,Dominguez Cabrera, M. Josefina,Bruno-Blanch, Luis E.,Estiu, Guillermina L.
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- Polymorphism and thermal behavior of sodium cyclamate
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Due to its potential thermal degradation or polymorphic transformation, thermal stability of a food additive may limit its use in food preparations, when heating process is involved. In this paper, we present an investigation on thermal behavior of sodium cyclamate, one of the most frequently used components in tabletop sweeteners. Thermogravimetric data revealed that sodium cyclamate exists in two polymorphic forms: sodium cyclamate di-hydrated (C6H12NSO3Na·2H2O) and anhydrous sodium cyclamate (C6H12NSO3Na). X-ray powder diffraction data revealed that hydrate and anhydrate sodium cyclamate are true polymorphs. Under heating conditions, the hydrated form dehydrated in a complex multiple-step process. Finally, thermal decomposition of sodium cyclamate was studied and a degradation mechanism is proposed. At 170?°C, sodium cyclamate sublimates and dimerizes, by condensation of two cyclamate moieties, leading to formation of highly pure N,N-diciclohexyl sulfamide, a potential anxiolytic compound.
- Medina,Ferreira,Cavalheiro
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- Ultrasonic assisted green protocol for the synthesis of sulfamides
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An improved environmentally benign method for synthesis of sulfamides under focused ultrasound irradiation and under solvent-free and catalyst-free conditions has been carried out by the reaction of amines or amino esters with sulfuryl chloride. This approach allows the synthesis of products in excellent yields and in short reaction time.
- Grib, Ismahene,Belhani, Billel,Bechlem, Khaoula,Bouasla, Radia,Aouf, Nour-Eddine,Berredjem, Malika
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- The Zeolite ZSM-5-SO3H as an Effcient Mild Heterogeneous Catalyst for the Synthesis of 1,2,5-Thiadiazolidines, 1,2,6-Thiadiazines, and Benzo[d][1,2,7] thiadiazepines Under Microwave-assisted Solvent-free Conditions
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Three series of compounds namely,1,2,5-thiadiazolidine-3,4(H)-dione-1,1-dioxydes, 1,2,6-thiadiazine-3,5(H)-dione-1,1-dioxydes, and benzo[d][1,2,7]thiadiazepine-1,5(2H)-dione-3,3-dioxydes have been synthesized by the acylation of N,N’-disubstituted symmetric sulfamides with oxalyl chloride, malonyl chloride, and phthaloyl chloride, respectively. These compounds were prepared under conventional and microwave-assisted solvent-free reaction conditions using the zeolite ZSM-5-SO3H as catalyst.
- Dehamchia, Mohamed,Ichrak, Bouguessa,Rega?nia, Zine
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p. 509 - 514
(2021/02/02)
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- Microwave-assisted synthesis of some substituted sulfamides
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Microwave-assisted synthesis of some substituted open-chain and cyclic sulfamides, by amine-exchange reaction, was studied in a modified domestic microwave oven. Reaction times and yields under microwave radiation were compared with classical heating. Synthesis of the sulfamides under microwave irradiation gave better yields with the desired compounds, and in considerably reduced reaction times, than those obtained by classical heating. [Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfer, and Silicon and the Related Elements for the following free supplemental files: Additional figures.]
- Gediz Erturk, Aliye,Bekdemir, Yunus
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p. 285 - 292
(2014/01/06)
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- Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV
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A set of sulfamides and sulfamates were synthesized and tested against several isoforms of carbonic anhydrase: CA I, CA II, CA VII, CA XII and CA XIV. The biological assays showed a broad range of inhibitory activity, and interesting results were found for several compounds in terms of activity (Ki 1 μm) and selectivity: some aromatic sulfamides are active against CA I, CA II and/or CA VII; while they are less active in CA XII and CA XIV. On the other hand, bulky sulfamides are selective to CA VII. To understand the origin of the different inhibitory activity against each isozyme we used molecular modeling techniques such as docking and molecular dynamic simulations.
- Gavernet, Luciana,Gonzalez Funes, Jose L.,Palestro, Pablo H.,Bruno Blanch, Luis E.,Estiu, Guillermina L.,Maresca, Alfonso,Barrios, Ivana,Supuran, Claudiu T.
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p. 1410 - 1418
(2013/04/10)
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