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Chemical structure of PB131

GC73287

PB131

Also known as 4-(3,4-dihydro-2H-1,8-naphthyridin-1-ylmethyl)-3-fluoro-N-hydroxybenzamide

PB131 is a selective and brain-permeable HDAC6 inhibitor with high binding affinity (IC50: 1·8 nM)

ChemicalCAS2924425-63-6MW301.32FormulaC16H16FN3O2
CAS number
2924425-63-6
Molecular weight
301.32
Formula
C16H16FN3O2
Solubility
DMSO ： 100 mg/mL (331·87 mM; Need ultrasonic)
InChIKey
IRALAZOBAVZSHO-UHFFFAOYSA-N
Catalogue number
GC73287
Brand
GLPBIO
Computed properties PubChem CID 168475927 · XLogP 2.1 · TPSA 65.5 Ų · H-bond donors 2
XLogP
2.1
TPSA
65.5 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

SMILES C1CC2=C(N=CC=C2)N(C1)CC3=C(C=C(C=C3)C(=O)NO)F

Computed descriptors from PubChem (CID 168475927), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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