摘要:
Methods for the computer-generation of virtual libraries of compounds are disclosed, including methods for tracking the addition of fragments, use of reagents, and the transformations performed. A tracking table is generated for sample compound C1 and includes entries: (a) listing the order of fragments used, and (b) listing the transformations performed for each synthesis path.
摘要:
The present invention provides methods for the generation of virtual libraries of compounds and using these libraries to build combinatorial libraries. The virtual compounds are generated in silico. The present invention encompasses methods for tracking the addition of fragments, use of reagents, and transformations performed. Further, methods for interfacing the information necessary to generate libraries of compounds with instrumentation that conducts the actual synthesis of the compounds are provided.
摘要:
Provided are antibacterial compounds having Formula (I) wherein X is CH, O, S, N or NH; Y is CH or N; n is 0 or 1; one of R1 and R1' is -C(O)NR5R5', -C(O)-Q-NR5R5', -CH2NR5R5' or -S(O)2NR5R5' and the other is H or R3, one of R2 and R2' is -NHC(O)R6 or -NHS(O)2R6 or -NHS(O)R6 and the other is H or R4; Q is an amino acid or peptide; R3 is H, halogen, -NR5R5' or -NHC(O)R6; R4 is selected from the group consisting of H, halogen, hydroxyl, amino, carboxyl, alkyl, alkenyl and alkynyl; R5 is selected from the group consisting of H, alkyl, alkenyl or alkynyl optionally substituted with halogen, OH, amino, amidinyl, guanidinyl, urea, alkyl, carboxyl, oxo, carboxamide; R5' is H or R5 and R5' together form a 5-16 member heterocycle optionally substituted with halogen, OH, amino, alkyl, carboxyl, carbonyl or carboxamide; and R6 is selected from the group consisting of H; amino, alkyl, alkenyl or alkynyl, each optionally substituted with halogen, amino, amidinyl, guanidinyl, urea, carboxyl or carbvoxamide; a 5-16 member carbocycle or heterocycle; and a 5-16 member heterocycle-substituted alkyl or carbocycle-substituted alkyl, wherein said carbocycle and heterocycle are optionally substituted with halogen, OH, amino, alkyl, carboxyl, oxo or carboxamide.