Ñòàòüè çàñëóæèâàþùèå âíèìàíèÿ

Klot · Thu Mar 17, 2005 2:27 pm

Ñþäà áóäåì ïîñòèòü ñâåæèå ñòàòüè è àáñòðàêòû èç æóðíàëîâ êîòîðûå ìîæíî ïî÷èòàòü â îáðàçîâàòåëüíûõ öåëÿõ Smile

Íà÷íó ñàì

First report for the efficient reduction of Oximes to Amines with Zinc
Borohydride in the form of (Pyridine)(tetrahydroborato)zinc Complex

Behzad Zeynizadeh and Karam Zahmatkesh
Depart ment of Chemistry, Faculty of Sciences, Urmia Uni versity, Urmia 57159-165, Iran

(Pyridine)(tetrahydroborato)zinc complex, (Py)Zn(BH4)2, as a stable mod i fi ca tion of zinc borohydride can easily reduce a variety of aromatic and aliphatic aldoximes or ketoximes to their corresponding amines in high to excellent yields in refluxing THF.

http://nr.stic.gov.tw/ejournal/ChiChemSociety/2005/EJ52-2005-137.pdf

Klot · Thu Mar 31, 2005 11:59 am

Acta Chim. Slov. 2005, 52, 80–85

Synthesis, Crystal Structural and Pharmacological Study of N-Cyclopropylmehtyl-7α-[(R)-1-hydroxyl-1-methyl-3-(thien-2-yl)propyl]-6,14-endoethanotetrahydronooripavine

He Liu,* Bo-hua Zhong, Chun-he Liu, Bo Wu, and Ze-Hui Gong

Abstract
N-Cyclopropylmethyl-7α-[(R)-1-hydroxyl-1-methyl-3-(thien-2-yl)propyl])-6,14-endoethanotetrahydrooripavine (thienorphine, I), has been synthesized and evaluated for its in vivo analgesic activities. Thienorphine was structurally
characterized by infrared (IR), NMR spectra, FAB-MS and X-ray diffraction. The crystal structure indicates that thienorphine maintained the main rigid structure of morphine and contains a C6-C14 enthano bridge. The C7 substituent is 1-hydroxyl-1-methyl-3-(thien-2-yl)propyl group adopting R-configuration. The cyclopropylmethyl group is located at the equatorial position as expected. The packing diagram of thienorphine showed the presence
of the intramolecular and intermolecular O–H•••O hydrogen bond linking the molecules into an infinite quasi-one-dimensional chain structure. In vivo pharmacological study thienorphine exhibited excellent analgesic activity.

http://acta.chem-soc.si/52/52-1-80.pdf

Klot · Thu Mar 31, 2005 12:16 pm

J. Chil. Chem. Soc. vol.49 no.4 Concepción Dec. 2004

A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS

JUAN SEBASTIÁN GÓMEZ-JERIA1, LORENA A. GERLI2-CANDIA AND S. MARCELA HURTADO

SUMMARY

A ZINDO/1 quantum-chemical structure-affinity relationship study is presented for the interaction of a group of 3-substituted morphinans with mu, delta and kappa opioid receptors. From this and previous work it is concluded that:

1. Receptor selectivity is regulated by different electronic densities located sometimes at the same atomic center.

2. The equations for the binding to the three opiate receptors are consistent with previous results obtained for other kinds of opiate molecules.

3. Internal occupied molecular orbitals are very important in regulating receptor affinity (and selectivity).

4. The role of molecular orbitals in the saturated rings needs further analysis through the study of more molecular systems interacting with opiate receptors.

http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000400008&lng=en&nrm=iso&tlng=en

Klot · Thu Apr 07, 2005 12:11 pm

Âîò àáñòðàêòû , õî÷åòñÿ ïîëíûå òåêñòû åñëè åñòü âîçìîæíîñòü áóäó î÷åíü ïðèçíàòåëåí.

J. Med. Chem., 48 (7), 2407 -2419, 2005.

Sulfur-Substituted -Alkyl Phenethylamines as Selective and Reversible MAO-A Inhibitors: Biological Activities, CoMFA Analysis, and Active Site Modeling
Alejandra Gallardo-Godoy, Angélica Fierro, Thomas H. McLean, Mariano Castillo, Bruce K. Cassels, Miguel Reyes-Parada, and David E. Nichols*

Abstract:

A series of phenethylamine derivatives with various ring substituents and with or without N-methyl and/or C- methyl or ethyl groups was synthesized and assayed for their ability reversibly to inhibit monoamine oxidase A (MAO-A) and monoamine oxidase B (MAO-B). Several compounds showed potent and selective MAO-A inhibitory activity (IC50 in the submicromolar range) but none showed appreciable activity toward MAO-B. A three-dimensional quantitative structure-activity relationship study for MAO-A inhibition was performed on the series using comparative molecular field analysis (CoMFA). The resulting model gave a cross-validated q2 of 0.72 and showed that in this series of compounds steric properties of the substituents were more important than electrostatic effects. Molecular modeling based on the recently published crystal structure of inhibitor-bound MAO-A provided detailed evidence for specific interactions of the ligands with the enzyme, supported by previous references and consistent with results from the CoMFA. On the basis of these results, structural determinants for selectivity of substituted amphetamines for MAO-A are discussed
http://pubs.acs.org/cgi-bin/abstract.cgi/jmcmar/2005/48/i07/abs/jm0493109.html

J. Med. Chem., 48 (7), 2509 -2517, 2005

Substituted 5,5'-Diphenyl-2-thioxoimidazolidin-4-one as CB1 Cannabinoid Receptor Ligands: Synthesis and Pharmacological Evaluation

Giulio G. Muccioli, Diana Martin, Gerhard K. E. Scriba, Wolfgang Poppitz, Jacques H. Poupaert, Johan Wouters, and Didier M. Lambert*

Abstract:

A set of 30 substituted 5,5'-diphenyl-2-thioxoimidazolidin-4-one (thiohydantoins) derivatives was synthesized, and their affinity for the human CB1 cannabinoid receptor has been evaluated. These compounds are derived from the previously described cannabinoid ligands 5,5'-diphenylimidazolidine-2,4-dione (hydantoins). The replacement of the oxygen by a sulfur leads to an increase of the affinity while the function-i.e., inverse agonism-determined by [35S]GTPS experiments remains unaffected. Finally, to evaluate the molecular parameters that could influence the affinity of the thiohydantoins, molecular electrostatic potential as well as lipophilicity calculations were undertaken on representative thiohydantoins and hydantoins derivatives. In conclusion, 5,5'-bis-(4-iodophenyl)-3-butyl-2-thioxoimidazolidin-4-one (31) and 3-allyl-5,5'-bis(4-bromophenyl)-2-thioxoimidazolidin-4-one (32) possess the highest affinity for the CB1 cannabinoid receptor described to date for the hydantoin and thiohydantoins series when compared in a same bioassay.
http://pubs.acs.org/cgi-bin/abstract.cgi/jmcmar/2005/48/i07/abs/jm049263k.html

dennis_pro · Fri Apr 08, 2005 8:13 am