Crystal structure of 3,4-dihydro-6-(3′-methylbenzyl)-2-[(l-methylpropyl)thio]-4-oxopyrimidine (S-DABO 618), C16H20N2OS and of 3,4-dihydro-2-[(l-methylpropyl)thio]-6-(2-naphthylmethyl)-4-oxopyrimidine (DATNO 774), C19H20N2OS, two HIV-1 reverse transcriptase inhibitors

Zeitschrift fur Kristallographie - New Crystal Structures

Volumn 213, Issue 3, 1998, Pages 593-595

  Ettorre, A ^a   Mai, A ^a   Sbardella, G ^b   Artico, M ^c   La Colla, P ^d   Massa, S ^c  

^a Menarini Ricerche SpA   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

^c UNIVERSITY OF CAGLIARI   (Italy)

^d UNIVERSITY OF SIENA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 22044439538     PISSN: 14337266     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (13)

1. Mai, A.; Artico, M.; Sbardella, G.; Loi, A. G.; Tramontane, E.; Scano, P.; La Colla, P.: Synthesis and Anti-HlV-1 Activity of Thio Analogues of Dihydroalkoxybenzyloxopyrimidines. J. Med. Chem. 38 (1995) 32583263.
2. Mai, A.; Artico, M.; Sbardella, G.; Quartarone, S.; Massa, S.; Loi, A, G.; De Montis, A.; Scintu, F.; Putzolu, M.; La Colla, P.: Dihydro(alkylthio)(naphthylmethyl)oxopyrimidines: Novel Non-Nucleoside Reverse Transcriptase Inhibitors of the S-DABO séries. J. Med. Chem. 40 (1997) 1447-1454.
3. Artico, M.; Massa, S.; Mai, A.; Marongiu, M. E.; Piras, G.; Tramontano, E.; La Colla, P.: 3,4-dihydro-2-alkoxy-6-benzyl-4-oxopyrimidines (DABOs): a new class of specific inhibitors of human immunodeficiency virus type 1. Antivir. Chem. Chemother. 4 (1993) 361-368.
4. Massa, S.; Mai, A.; Artico, M.; Sbardella, G.; Tramontano, E.; Loi, A. G.; Scano, P.; La Colla, P.: Synthesis and antiviral activity of new 3,4-dihydro-2-alkoxy-6-benzyl-4-oxopyrimidines (DABOs), specific inhibitors of human immunodeficiency virus type 1. Antivir. Chem. Chemother. 6 (1995) 1-8.
5. Ding, J.; Das, K.; Moereels, H.; Koymans, L.; Andries, K.; Janssen, P. A. J.; Hughes, S. H.; Arnold, E.: Structure of HIV-1 RT/TIBO R 86I83 Complex Reveals Similarity in the Binding of Diverse Nonnucleoside Inhibitors. Nature Struct. Biol. 2 (1995)407-415.
6. Ding, J.; Das, K.; Tantillo, C.; Zhang, W.; Clark, Jr, A. D.; Jessen, S.; Lu, X.; Hsiou, Y.; Jacobo-Molina, A.; Andries, K.; Pauwels, R.; Moereels, H.; Koymans, L.; Janssen, P. A. J.; Smith Jr, R. H.; Kroeger Koepke, M.; Michejda, C. J.; Hughes, S. H.; Arnold, E.: Structure of H1V-I reverse transcriptase in a complex with the non-nucleoside inhibitor a-APA R 95845 at 2.8 A resolution. Structure 3 (1995) 365-379.
7. Ren, J.; Esnouf, R.; Carman, E.; Somers, D.; Ross, C.; Kirby, I.; Keeling, J.; Darby, G.; Jones, Y.; Stuart, D.; Stammers, D.: High Resolution Structuresof HIV-1 RT from four RT-Inhibitor Complexes. NatureStruct. Biol. 2 (1995) 293-302.
8. Ren, J.; Esnouf, R.; Hopkins, A.; Ross, C.; Jones, Y.; Stammers, D.; Stuart, D.: The structure of HIV-1 reverse transcriptase complexed with 9-chloro-TIBO: lessons for inhibitor design. Structure 3 (1995) 915-926.
9. Ettorre, A.; Mai, A.; Artico, M.; Massa, S.; De Montis, A.; La Colla, P.: 6-(3-MethylbenzyI)-2-(2-methylpropyl)thio-4(3//)-pyrimidinone (DABO 622). Acta Crystallogr. C52 (1996) 2115-2117.
10. Burla, M. C.; Camalli, M.; Cascarano, G.; Giacovazzo, C.; Polidori, G.; Spagna, R.; Viterbo, D.: S.I.R. 88. A direct method programme for the automatic solution of crystal structures. J. Appl. Crystalloar. 22 (1989) 389-393.
11. Busing, W. R.; Marti, K. O.; Levy, H. A.: ORFLS, A FORTRAN Crystallographic Least Squares Program, Report ORNL-TM-305, Oak Ridge National Laboratory, Oak Ridge, Tennessee.
12. TEXSAN-TEXRAY: Single Crystal Structure Analysis Software, Version 5.0. Molecular Structure Corporation, The Woodlands, TX. 77381, USA 1989.
13. Johnson, C. K.: ORTEP-II, A FORTRAN Thermal Ellipsoid Plot Program, Report ORNL-5138, Oak Ridge National Laboratory', Oak Ridge, Tennessee, USA 1976.