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Chemical structure of Dafadine-A

GC35803

Dafadine-A

Also known as [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone

Dafadine-A, an analog of dafadine, is a novel inhibitor of DAF-9 cytochrome P450 in the nematode Caenorhabditis elegans; also inhibits the mammalian ortholog of DAF-9(CYP27A1)

ChemicalCAS1065506-69-5MW391.46FormulaC23H25N3O3
CAS number
1065506-69-5
Molecular weight
391.46
Formula
C23H25N3O3
Solubility
DMSO： 50 mg/mL (127·73 mM)
InChIKey
WNSNPYIHDMIFOO-UHFFFAOYSA-N
Catalogue number
GC35803
Brand
GLPBIO
Computed properties PubChem CID 24790866 · XLogP 3.6 · TPSA 68.5 Ų · H-bond donors 0
XLogP
3.6
TPSA
68.5 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

SMILES CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)N3CCC(CC3)C4=CC=NC=C4

Computed descriptors from PubChem (CID 24790866), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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