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D131

3,5-Dinitrocatechol

solid

Synonym(s):

3,5-Dinitro-1,2-benzenediol, OR-486

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Size/SKUAvailabilityPrice
50 mg
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CZK 8,100.00

About This Item

Empirical Formula (Hill Notation):
C6H4N2O6
CAS Number:
Molecular Weight:
200.11
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352202
MDL number:

CZK 8,100.00


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biological source

synthetic (organic)

Quality Segment

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)

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

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This Item
R108N7510D9641
biological source

synthetic (organic)

biological source

-

biological source

-

biological source

synthetic (organic)

assay

≥98% (HPLC)

assay

-

assay

≥98%

assay

≥98% (HPLC)

Gene Information

human ... COMT(1312)

Gene Information

human ... COMT(1312)

Gene Information

human ... CACNA1C(775), CACNA1D(776), CACNA1F(778), CACNA1S(779)

Gene Information

-

Quality Level

200

Quality Level

100

Quality Level

100

Quality Level

200

form

solid

form

solid

form

powder

form

powder or solid

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

−20°C


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)



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