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Chemical structure of PNRI-299

GC33872

PNRI-299

Also known as N-benzyl-2-(3-cyanophenyl)-1,3,6-trioxo-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxamide

PNRI-299 is a selective AP-1 transcription inhibitor with an IC50 of 20 uM

ChemicalCAS550368-41-7MW401.37FormulaC21H15N5O4
CAS number
550368-41-7
Molecular weight
401.37
Formula
C21H15N5O4
Solubility
Soluble in DMSO
InChIKey
UPQJVNPKWQFAKQ-UHFFFAOYSA-N
Catalogue number
GC33872
Brand
GLPBIO
Computed properties PubChem CID 10318848 · XLogP 1.5 · TPSA 114 Ų · H-bond donors 1
XLogP
1.5
TPSA
114 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES C1C(=O)C=C(N2N1C(=O)N(C2=O)C3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC=C4

Computed descriptors from PubChem (CID 10318848), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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