dafadine A (CHEBI:88327)

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ChEBI Name	dafadine A

ChEBI ID	CHEBI:88327

Definition	An N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C23H25N3O3

Net Charge

Average Mass

391.464

Monoisotopic Mass

391.18959

InChI

InChI=1S/C23H25N3O3/c1-16-4-3-5-17(2)22(16)28-15-20-14-21(25-29-20)23(27)26-12-8-19(9-13-26)18-6-10-24-11-7-18/h3-7,10-11,14,19H,8-9,12-13,15H2,1-2H3

InChIKey

WNSNPYIHDMIFOO-UHFFFAOYSA-N

SMILES

C1(=NOC(=C1)COC=2C(=CC=CC2C)C)C(=O)N3CCC(CC3)C4=CC=NC=C4

Roles Classification
Biological Role(s):	P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.

Application(s):	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.

ChEBI Ontology
Outgoing	dafadine A (CHEBI:88327) has role geroprotector (CHEBI:176497) dafadine A (CHEBI:88327) has role P450 inhibitor (CHEBI:50183) dafadine A (CHEBI:88327) is a N-acylpiperidine (CHEBI:48591) dafadine A (CHEBI:88327) is a aromatic amide (CHEBI:62733) dafadine A (CHEBI:88327) is a aromatic ether (CHEBI:35618) dafadine A (CHEBI:88327) is a isoxazoles (CHEBI:55373) dafadine A (CHEBI:88327) is a pyridines (CHEBI:26421)

IUPAC Name

{5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl}[4-(pyridin-4-yl)piperidin-1-yl]methanone

Registry Number	Type	Source
25668395	Reaxys Registry Number	Reaxys

Citation	Type	Source
22057127	PubMed citation	Europe PMC

Last Modified

26 October 2021