CAS 872728-84-2

N-[[2-[[[4-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

Description:

N-[[2-[[[4-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester, with CAS number 872728-84-2, is a complex organic compound characterized by its multi-functional structure. It features a benzimidazole core, which is known for its biological activity, and incorporates a pyridine moiety, enhancing its potential for interaction with biological targets. The presence of the oxadiazole ring suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its ability to participate in various chemical reactions. The ethyl ester group may influence the compound's solubility and bioavailability, making it a candidate for further investigation in drug formulation. Overall, this compound's intricate structure indicates potential for diverse biological activities, warranting further research into its pharmacological properties and mechanisms of action.

Formula: C₂₈H₂₇N₇O₅

InChI: InChI=1S/C28H27N7O5/c1-3-39-25(36)13-15-35(23-6-4-5-14-29-23)27(37)19-9-12-22-21(16-19)31-24(34(22)2)17-30-20-10-7-18(8-11-20)26-32-28(38)40-33-26/h4-12,14,16,30H,3,13,15,17H2,1-2H3,(H,32,33,38)

InChI key: InChIKey=IFNJZUROZYTOFX-UHFFFAOYSA-N

SMILES: CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C=C4)C=5NC(=O)ON5

Synonyms:

• N-[[2-[[[4-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester
• ethyl 3-(1-Methyl-2-((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylaMino)Methyl)-N-(pyridin-2-yl)-1H-benzo[d]iMidazole-5-carboxaMido)propanoate
• β-Alanine, N-[[2-[[[4-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
• .beta.-Alanine, N-[[2-[[[4-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]aMino]Methyl]-1-Methyl-1H-benziMidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
• Ethyl 3-(1-methyl-2-(((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)amino)-methyl)-N-(pyridin
• Ethyl 3-(1-methyl-2-(((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)amino)-methyl)-N-(pyri
• Ethyl 3-(1-methyl-2-(((4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)
• -N-(pyridin-2-yl)