The Surface Molecular Potential Method for Calculating the Structure–Activity Relationship for Psychotropic Compounds

A new simple approach to the preparation of imidazo [4,5-e]-1,2,4-triazine derivatives

“…The synthesis of bicyclic bisureas (BBU) has been studied intensively. [1][2][3][4][5][6] This class of compounds is of considerable interest because they exhibit psychotropic activity. 7,8 One of the most common methods for the preparation of bicyclic bisureas consists in the cyclocondensation of 4,5-dihydroxyimidazolidin-2-ones with both of the NH 2 (NHR) groups of ureas under conditions of acid catalysis in water 1,3,4,9 or aqueous methanol.…”

“…[1][2][3][4][5][6] This class of compounds is of considerable interest because they exhibit psychotropic activity. 7,8 One of the most common methods for the preparation of bicyclic bisureas consists in the cyclocondensation of 4,5-dihydroxyimidazolidin-2-ones with both of the NH 2 (NHR) groups of ureas under conditions of acid catalysis in water 1,3,4,9 or aqueous methanol. 10 It would be expected that an analogous cyclocondensation of 4,5-dihydroxyimidazolidin-2-ones with other N,N'-bisnucleophiles (e.g., thiosemicarbazide) leads to imidazo[4,5-e]-1,2,4-triazine derivatives.…”

“…CH 2 ), 4.73 (dd, 1H, CH, 3 J 8.6 Hz,3 J 1.8 Hz), 4.91 (dd, 1H, CH, 3 J 8.8 Hz, 3 J 2.4 Hz), 5.59 (d, 1H, CH-NH-C=S, 3 J 2.4 Hz), 8.67 (d, 1H, CH-NH-NH, 3 J 1.8 Hz), 9.38 (br. s, 1H, NH-NH-C=S).…”

Crystal properties of N-alkyl-substituted glycolurils as the precursors of chiral drugs

“…The chemistry of glycolurils is progressing in different directions including the construction of self-assembling molecular entities such as clips, capsules and supramolecular coordination-bonded systems based on cucurbiturils, 1,2 as well as the preparation of pharmaceuticals. [3][4][5] The psychotropic drugs Mebicar and Albicar are well-known tranquilizers and antidepressants [3][4][5][6] (Scheme 1). Albicar crystallises in a centrosymmetric space group (P2 1 /a); 4 therefore, its resolution into enantiomers is difficult.…”

New condensation methods in the synthesis of bicyclic bisureas

“…1 Calculations performed by the QSAR method demonstrated that N-alkylated TABOD with methyl and ethyl substituents are most promising. 2 Published data concerning condensation methods for preparing TABOD indicate that changes in the position and number of substituents at nitrogen atoms creates some synthetic difficulties. Only mono-, di-and tetra-N-methyl(ethyl)-substituted TABOD (cis-and trans-) can be prepared by known synthetic methods.…”