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Chemical structure of RG-12525 (NID 525)

GC33780

RG-12525 (NID 525)

Also known as 2-[[4-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline

RG-12525 (NID 525) is a a specific, competitive and orally effective antagonist of the peptidoleukotrienes, LTC4, LTD4 and LTE4, inhibiting LTC4-, LTD4- and LTE4-inducd guinea pig parenchymal strips contractions, with IC50s of 2·6 nM, 2·5 nM and 7 nM, respectively; RG-12525 (NID 525) is also a peroxisome proliferator-activated receptor gamma (PPAR-gamma) agonist with IC50 of appr 60 nM and a potent inhibitor of CYP3A4, with a Ki value of 0·5 μM

ChemicalCAS120128-20-3MW423.47FormulaC25H21N5O2
CAS number
120128-20-3
Molecular weight
423.47
Formula
C25H21N5O2
Solubility
Soluble in DMSO
InChIKey
JELDFLOBXROBFH-UHFFFAOYSA-N
Catalogue number
GC33780
Brand
GLPBIO
Computed properties PubChem CID 129044 · XLogP 4.7 · TPSA 85.8 Ų · H-bond donors 1
XLogP
4.7
TPSA
85.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32

SMILES C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC=CC=C4CC5=NNN=N5

Computed descriptors from PubChem (CID 129044), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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