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Volumn 15, Issue 1-3, 1996, Pages 59-68

Design and synthesis of heterocyclic carboxamides as natural nucleic acid base mimics

Author keywords

[No Author keywords available]

Indexed keywords

1 (2' DEOXYRIBOFURANOSYL)IMIDAZOLE 4 CARBOXAMIDE; 1 (2' DEOXYRIBOFURANOSYL)PYRAZOLE 3 CARBOXAMIDE; 1 (2' DEOXYRIBOFURANOSYL)PYRROLE 3 CARBOXAMDE; AMIDE; NUCLEOSIDE DERIVATIVE; UNCLASSIFIED DRUG;

EID: 0029971586     PISSN: 07328311     EISSN: None     Source Type: Journal    
DOI: 10.1080/07328319608002370     Document Type: Article
Times cited : (25)

References (21)
  • 9
    • 9044252177 scopus 로고    scopus 로고
    • note
    • Using AM-1 we have calculated the enthalpies of formation for 1-methyl-4-imidazole carboxamide, 1-methyl-4-pyrazole carboxamide, and 1-methyl-4-pyrrole carboxamide. These calculations give evidence that C-4 carbamoyl-1-alkyl imidazoles and pyrazoles may prefer an anti conformation in the gas phase by 5.5 and 2.9 kcal/mole, respectively. For 1-methyl-4-pyrrole carboxamide the two conformations differ by only 1.3 kcal/mol. Semi-empirical calculations were performed using Hyperchem release 2 on a Gateway 2000 PC utilizing a Intel 486 DX2-66 microprocessor. The geometries of the model compounds were optimized and their enthalpies of formation were calculated in vacuo with a Fletcher-Reeves (conjugate gradient) algorithm to a final RMS gradient of 0.01 kcal/Å mol.
  • 14
    • 0000416466 scopus 로고
    • W. W. Zorbach and R. S. Tipson, Ed.; Interscience Publishers: NY
    • Bhat, C. C. In Synthetic Proceedures in Nucleic Acid Chemistry; W. W. Zorbach and R. S. Tipson, Ed.; Interscience Publishers: NY, 1968; Vol. 1; pp 521.
    • (1968) Synthetic Proceedures in Nucleic Acid Chemistry , vol.1 , pp. 521
    • Bhat, C.C.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.