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Chemical structure of GKT137831

GC11882

GKT137831

Also known as 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

GKT137831 (GKT137831) is a selective NADPH oxidase (NOX1/4) inhibitor with Kis of 140 and 110 nM, respectively

ChemicalCAS1218942-37-0MW394.85FormulaC21H19ClN4O2
CAS number
1218942-37-0
Molecular weight
394.85
Formula
C21H19ClN4O2
Solubility
≥ 39·5mg/mL in DMSO
InChIKey
RGYQPQARIQKJKH-UHFFFAOYSA-N
Catalogue number
GC11882
Brand
GLPBIO
Computed properties PubChem CID 58496428 · XLogP 3.2 · TPSA 55.9 Ų · H-bond donors 1
XLogP
3.2
TPSA
55.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28

SMILES CN1C(=O)C=C2C(=C1C3=CC(=CC=C3)N(C)C)C(=O)N(N2)C4=CC=CC=C4Cl

Computed descriptors from PubChem (CID 58496428), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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