1143579-76-3
Chemical Structure
I-A09
- CAS No.: 1143579-76-3
- Formula:C29H25N5O6
- Molecular Weight:539.54
IUPAC Name: 6-hydroxy-3-(1-(2-((4-morpholinophenyl)amino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)-2-phenylbenzofuran-5-carboxylic acid
InChIKey: XDUPIYKMBPUQSZ-UHFFFAOYSA-N
SMILES: O=C(C1=CC2=C(C=C1O)OC(C3=CC=CC=C3)=C2C4=CN(CC(NC5=CC=C(N6CCOCC6)C=C5)=O)N=N4)O
Biological Activity: I-A09 and its derivatives, specifically 1,2,3-triazole-adamantylacetamide hybrids (5a–u), exhibit significant antitubercular activity. These hybrids were synthesized using copper-catalyzed click chemistry, combining bioactive fragments from antitubercular I-A09 and substituted adamantyl urea. The compound N-(1-adamantyl)-2-azido acetamide was reacted with various alkyl/aryl acetylenes to produce new analogues. Among them, N-(1-adamantan-1-yl)-2-(4-(phenanthren-2-yl)-1H-1,2,3-triazol-1-yl)acetamide (5t) showed the most promise with a minimum inhibitory concentration (MIC) of 3.12 μg/mL against Mycobacterium tuberculosis H37Rv, and a selectivity index greater than 15[1].
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I-A09 | I-A09 and its derivatives, specifically 1,2,3-triazole-adamantylacetamide hybrids (5a–u), exhibit significant antitubercular activity. These hybrids were synthesized using copper-catalyzed click chemistry, combining bioactive fragments from antitubercular I-A09 and substituted adamantyl urea. The compound N-(1-adamantyl)-2-azido acetamide was reacted with various alkyl/aryl acetylenes to produce new analogues. Among them, N-(1-adamantan-1-yl)-2-(4-(phenanthren-2-yl)-1H-1,2,3-triazol-1-yl)acetamide (5t) showed the most promise with a minimum inhibitory concentration (MIC) of 3.12 μg/mL against Mycobacterium tuberculosis H37Rv, and a selectivity index greater than 15. | |||||||||||||||||||||
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