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Chemical structure of PPARγ phosphorylation inhibitor 1

GC75352

PPARγ phosphorylation inhibitor 1

Also known as 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6-phenoxyphthalazine-1-carboxylic acid

PPARγ phosphorylation inhibitor 1 (Compound 10) is a potent PPARγ binder with the IC50 of 24 nM

ChemicalCAS2882975-84-8MW441.26FormulaC22H14Cl2N2O4
CAS number
2882975-84-8
Molecular weight
441.26
Formula
C22H14Cl2N2O4
Solubility
DMSO: 100 mg/mL (226·62 mM; ultrasonic and warming and heat to 60°C)
InChIKey
IQKNCBUBONVBNJ-UHFFFAOYSA-N
Catalogue number
GC75352
Brand
GLPBIO
Computed properties PubChem CID 163201213 · XLogP 5.1 · TPSA 79.2 Ų · H-bond donors 1
XLogP
5.1
TPSA
79.2 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30

SMILES C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=NN(C3=O)CC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Computed descriptors from PubChem (CID 163201213), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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