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Chemical structure of 4-PQBH

GC68554

4-PQBH

Also known as N-[(E)-pyridin-4-ylmethylideneamino]-4-(quinolin-4-ylamino)benzamide

4-PQBH is an effective Nur77 binder (KD=1·17 μM)· 4-PQBH induces caspase-independent cytoplasmic vacuolization and apoptosis through Nur77-mediated endoplasmic reticulum stress and autophagy· It can be used for cancer research

ChemicalCAS2243355-51-1MW367.4FormulaC22H17N5O
CAS number
2243355-51-1
Molecular weight
367.4
Formula
C22H17N5O
Solubility
DMSO ： 25 mg/mL (68·05 mM; Need ultrasonic)
InChIKey
AVTFCFMDUCRAQC-MFKUBSTISA-N
Catalogue number
GC68554
Brand
GLPBIO
Computed properties PubChem CID 163196194 · XLogP 3.6 · TPSA 79.3 Ų · H-bond donors 2
XLogP
3.6
TPSA
79.3 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

SMILES C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)C(=O)N/N=C/C4=CC=NC=C4

Computed descriptors from PubChem (CID 163196194), 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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