Synonym: 2, 4-Disulfonyl PBN; 2,4-Disulfophenyl-N-tert-butylnitrone; ARL 16556; CPI 22; Cerovive; Disodium 4-[(tert-butyl-imino) methyl]benzene-13-disulfonate N-oxide; Disufenton sodium; NXY-059; Nxy 059; OKN-007; OKN007; Oklahoma nitrone-007
CAS Number: 168021-79-2
Empirical Formula (Hill Notation): C11H13NO7S2 · 2Na
Molecular Weight: 381.33
MDL Number: MFCD09833648
Linear Formula: C11H13NO7S2 · 2Na
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
white to beige |
| form |
powder |
| InChI |
1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2 |
| InChI key |
XLZOVRYBVCMCGL-UHFFFAOYSA-L |
| SMILES string |
[O-]/[N+](C(C)(C)C)=CC(C=CC(S([O-])(=O)=O)=C1)=C1S([O-])(=O)=O.[Na+].[Na+] |
| solubility |
H2O: 2 mg/mL, clear |
| storage temp. |
−20°C |
| Biochem/physiol Actions: |
Orally available NO-mimicking free radical trapping agent and sulfatase 2 (SULF2) inhibitor with in vivo efficacy in animal models of glioma and stroke. |
| Biochem/physiol Actions: |
Originally characterized for its NO-mimicking activity in preventing peroxynitrite formation and in vivo neuroprotective efficacy in animal models of cerebral ischemia (100 mg/kg i.v. in rabbits; 30-60 mg/kg plus 30-60 mg/kg/h i.v. or 50 mg/kg plus 8.8 mg/kg/h s.c. in rats; 28 mg/kg plus 16 mg/kg/h i.v. in monkeys), OKN-007 (HPN-07, NXY-059) is an orally available α-phenyl-tert-butylnitrone (PBN) derivative that is also shown to exhibit sulfatase 2 (SULF2) inhibitory activity and anticancer efficacy both in cultures (effective conc. 170-200 μM in Huh7 heptoma cultures) and in several rodent glioma models in vivo (C6, RG2, and GL261; 75 mg/kg/day for rats and 168 mg/kg/day for mice via drinking water). |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
−20°C |
| UNSPSC |
12352200 |
