D131

3,5-Dinitrocatechol

solid

• Sinónimos: 3,5-Dinitro-1,2-benzenediol, OR-486
• Fórmula empírica (notación de Hill): C₆H₄N₂O₆
• Número CAS: 7659-29-2
• Peso molecular: 200.11
• NACRES: NA.77
• PubChem Substance ID: 24278158
• UNSPSC Code: 12352202
• MDL number: MFCD00069263

Propiedades

• biological source: synthetic (organic)
• Quality Segment: 200
• assay: ≥98% (HPLC)
• form: solid
• color: yellow
• mp: 168-170 °C
• solubility: H₂O: slightly soluble 0.17 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 2.8 mg/mL, 0.1 M HCl: slightly soluble, DMSO: soluble, aqueous buffer pH > 5: soluble, ethanol: soluble
• storage temp.: 2-8°C
• SMILES string: Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
• InChI key: VDCDWNDTNSWDFJ-UHFFFAOYSA-N
• Gene Information: human ... COMT(1312)

Descripción

Application

3,5-Dinitrocatechol (3,5-DNC) has been used in the preparation of the molybdenum (VI)-(3,5-DNC) complex.[1][2] It has also been used as a catechol-O-methyltransferase (COMT) inhibitor and as a positive control for screening human COMT inhibition.[3]

Chelating reagent used in a sensitive (μM) assay for vanadium.

Biochem/physiol Actions

Selective inhibitor of catechol O-methyl transferase (COMT); penetrates the blood brain barrier and is useful both orally and parenteraly in experiments where inhibition of COMT in the central nervous system is required.

Analysis Note

Solutions may be stored for several days at 4 °C.

Disclaimer

Photosensitive

Información de seguridad

• Clase de almacenamiento: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)