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Chemical structure of PX-478 2HCl

GC11031

PX-478 2HCl

Also known as 4-[(2S)-2-amino-2-carboxyethyl]-N,N-bis(2-chloroethyl)benzeneamine oxide;dihydrochloride

PX-478 is a selective inhibitor that suppresses constitutive and hypoxia-induced HIF-1α levels

ChemicalCAS685898-44-6MW394.12FormulaC13H20Cl4N2O3
CAS number
685898-44-6
Molecular weight
394.12
Formula
C13H20Cl4N2O3
Solubility
79mg/mL in DMSO (200·45mM), 79mg/mL in Water (200·45mM), 79mg/mL in Ethanol (200·45mM)
InChIKey
GIGCDIVNDFQKRA-LTCKWSDVSA-N
Catalogue number
GC11031
Brand
GLPBIO
Computed properties PubChem CID 11234794 · TPSA 81.4 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
81.4 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
22

SMILES C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl

Computed descriptors from PubChem (CID 11234794), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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