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Chemical structure of T-5224

GC16165

T-5224

Also known as 3-[5-(4-cyclopentyloxy-2-hydroxybenzoyl)-2-[(3-oxo-1,2-benzoxazol-6-yl)methoxy]phenyl]propanoic acid

T-5224 is a non-peptidic small molecule AP-1 inhibitor that specifically inhibits the binding of AP-1 to the AP-1 binding site of the promoter region and was originally developed as an anti-inflammatory drug for the treatment of rheumatoid arthritis (RA) suppressing inflammatory cytokines and MMPs without any side-effects

ChemicalCAS530141-72-1MW517.53FormulaC29H27NO8
CAS number
530141-72-1
Molecular weight
517.53
Formula
C29H27NO8
Solubility
≥ 25·88mg/mL in DMSO
InChIKey
DALCQQSLNPLQFZ-UHFFFAOYSA-N
Catalogue number
GC16165
Brand
GLPBIO
Computed properties PubChem CID 23626877 · XLogP 5.1 · TPSA 131 Ų · H-bond donors 3
XLogP
5.1
TPSA
131 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
38

SMILES C1CCC(C1)OC2=CC(=C(C=C2)C(=O)C3=CC(=C(C=C3)OCC4=CC5=C(C=C4)C(=O)NO5)CCC(=O)O)O

Computed descriptors from PubChem (CID 23626877), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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