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Chemical structure of AP-1/NF-κB activation inhibitor 1

GC61970

AP-1/NF-κB activation inhibitor 1

Also known as ethyl 4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

AP-1/NF-κB activation inhibitor 1 is a potent AP-1 and NF-κB mediated transcriptional activation inhibitor (IC50=1 μM), without blocking basal transcription driven by the β-actin promoter

ChemicalCAS188936-12-1MW344.25FormulaC13H11F3N4O4
CAS number
188936-12-1
Molecular weight
344.25
Formula
C13H11F3N4O4
Solubility
DMSO ： 250 mg/mL (726·22 mM)
InChIKey
JWIIKHRJOUQCQG-UHFFFAOYSA-N
Catalogue number
GC61970
Brand
GLPBIO
Computed properties PubChem CID 44289488 · XLogP 2 · TPSA 101 Ų · H-bond donors 1
XLogP
2
TPSA
101 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
24

SMILES CCOC(=O)C1=CN=C(N=C1NN2C(=O)C=C(C2=O)C)C(F)(F)F

Computed descriptors from PubChem (CID 44289488), 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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