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Merck
CN

D131

3,5-Dinitrocatechol

solid

别名:

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

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关于此项目

经验公式(希尔记法):
C6H4N2O6
化学文摘社编号:
分子量:
200.11
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352202
MDL number:
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biological source

synthetic (organic)

Quality Level

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. It has also been used as a catechol-O-methyltransferase (COMT) inhibitor and as a positive control for screening human COMT inhibition.
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


存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)



历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Reda Saber Ibrahim Ahmed et al.
Journal of cellular biochemistry, 117(10), 2357-2369 (2016-03-08)
Uterine fibroids (leiomyomas) are very common benign tumors grown on the smooth muscle layer of the uterus, present in up to 75% of reproductive-age women and causing significant morbidity in a subset of this population. Although the etiology and biology
Kirila Stojnova et al.
Acta chimica Slovenica, 65(1), 213-220 (2018-03-22)
The equilibria of the chelate formation and ion-association in the liquid-liquid extraction system Mo(VI)‒3,5-DNC‒INT‒H2O‒CHCl3 were studied by spectrophotometry. The optimum conditions for the chelate formation and extraction of the ion-associated complex formed between the anionic chelate of Mo(VI)‒3,5-dinitrocatechol (3,5-DNC) and
O Kambur et al.
British journal of pharmacology, 161(7), 1553-1565 (2010-08-24)
Catechol-O-methyltransferase (COMT) inhibitors are used in Parkinson's disease in which pain is an important symptom. COMT polymorphisms modulate pain and opioid analgesia in humans. In rats, COMT inhibitors have been shown to be pro-nociceptive in acute pain models, but also



全球贸易项目编号

货号GTIN
797391-200MG04061832939643
D131-50MG04061832947129
D131-250MG04061832947112