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Chemical structure of PF 184

GC13184

PF 184

Also known as 8-[[2-[(3R,4S)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-5-chloropyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

PF 184 is a potent inhibitory factor-κB kinase 2 (IKK-2) inhibitor with an IC50 of 37 nM

ChemicalCAS1187460-81-6MW619.09FormulaC32H32ClFN6O4
CAS number
1187460-81-6
Molecular weight
619.09
Formula
C32H32ClFN6O4
Solubility
＜61·91mg/ml in DMSO
InChIKey
JUOWWGNRWRLBSV-MEKGRNQZSA-N
Catalogue number
GC13184
Brand
GLPBIO
Computed properties PubChem CID 57519531 · XLogP 3.7 · TPSA 147 Ų · H-bond donors 4
XLogP
3.7
TPSA
147 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
44

SMILES C[C@@]1(CN(C[C@@]1(C)CO)C2=NC=C(C(=C2)C(=O)NC3=CC4=C(CCC5=C4N(N=C5C(=O)N)C6=CC=C(C=C6)F)C=C3)Cl)CO

Computed descriptors from PubChem (CID 57519531), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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