Banoxantrone dihydrochloride (AQ4N), Topoisomerase II inhibitor

Key facts

CAS number

252979-56-9

Purity

>97%

Form

Solid

form

Molecular weight

517.4 Da

Molecular formula

C₂₂H₃₀Cl₂N₄O₆

PubChem

72941779

Nature

Synthetic

Solubility

Soluble in water to 25 mM

Biochemical name

Banoxantrone dihydrochloride

Biological description

Bioreductive AQ4 precursor. Topoisomerase II inhibitor. Converts under hypoxia to DNA-affinic mitoxantrone (ab141041) structural analog. Induces DNA intercalation. Shows antitumor effects in vivo.

Canonical smiles

C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)[O-].Cl.Cl

InChi

InChI=1S/C22H28N4O6.2ClH/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30;;/h5-8,23-24,27-28H,9-12H2,1-4H3;2*1H

InChiKey

SBWCPHUXRZRTDP-UHFFFAOYSA-N

IUPAC Name

2-[[4-[2-[dimethyl(oxido)azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-N,N-dimethylethanamine oxide;dihydrochloride