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Volumn 51, Issue 30, 2010, Pages 3951-3955

Concise two-step solution phase syntheses of four novel dihydroquinazoline scaffolds

Author keywords

[No Author keywords available]

Indexed keywords

BENZODIAZEPINE DERIVATIVE; BUTYL ISOCYANIDE; CYANIDE; DIHYDROQUINAZOLINE DERIVATIVE; QUINAZOLINE DERIVATIVE; UNCLASSIFIED DRUG;

EID: 77953685875     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tetlet.2010.05.108     Document Type: Article
Times cited : (30)

References (23)
  • 17
    • 0035895505 scopus 로고    scopus 로고
    • Venter J.C., et al. Science 291 (2001) 1304-1351
    • (2001) Science , vol.291 , pp. 1304-1351
    • Venter, J.C.1
  • 19
    • 77953685027 scopus 로고    scopus 로고
    • note
    • 3): 171.05, 158.18, 137.03, 136.62, 130.05, 129.09 (2C), 128.40 (2C), 127.32, 126.78, 124.66, 123.92, 116.74, 62.99, 49.30, 39.90, 31.91, 29.89, 20.52, 20.18, 14.14, 14.03.
  • 20
    • 77953684874 scopus 로고    scopus 로고
    • note
    • 3): 170.95, 143.533, 137.11, 132.12, 131.64, 129.16, 128.94, 126.07, 125.59, 125.46, 124.48, 122.63, 121.22, 56.41, 43.14, 27.79, 19.42, 14.32.
  • 21
    • 77953687174 scopus 로고    scopus 로고
    • note
    • In an exercise to demonstrate uniqueness, virtual libraries for all four scaffolds were enumerated with Symyx Draw 3.2 (comprising scaffold 1-168 compounds; 2-168 compounds, 3-144 compounds, 4-48 compounds). The parent structure of each compound was then compared with the 375,000 compounds available in the NIH molecular libraries small molecule repository (MLSMR) described by pharmacophore fingerprints using PowerMV v0.61. A total of 1043 similar compounds were selected using a Tanimoto Similarity function as implemented in the nearest neighbor search tool in PowerMV (distance threshold for library 1 and 2 = 0.5; library 3 = 0.29; library 4 = 0.4). The libraries and the MLSMR subset (1571 compounds total) were imported into MOE (Molecular Operating Environment v2009.11, Chemical Computing Group) and represented by structural fingerprints (MACCS keys). Tanimoto similarities were computed based on the MACCS keys, which generated a 1571 by 1571 matrix. The columns of the matrix were used as input for a principle component analysis and the first three principle components were represented graphically using MOE (Fig. 4).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.