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Merck
CN

D131

Sigma-Aldrich

3,5-Dinitrocatechol

solid

别名:

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

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About This Item

经验公式(希尔记法):
C6H4N2O6
CAS号:
分子量:
200.11
MDL编号:
UNSPSC代码:
12352202
PubChem化学物质编号:
NACRES:
NA.77

生物来源

synthetic (organic)

质量水平

方案

≥98% (HPLC)

表单

solid

颜色

yellow

mp

168-170  °C

溶解性

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

储存温度

2-8°C

SMILES字符串

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

基因信息

human ... COMT(1312)

相关类别

应用

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.

生化/生理作用

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.

质量

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

注意

Photosensitive

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

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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V W Couling et al.
Biophysical journal, 75(2), 1097-1106 (1998-07-24)
This paper presents a study of the use of ultraviolet resonance Raman (UVRR) spectroscopic methods as a means of elucidating aspects of drug-protein interactions. Some of the RR vibrational bands of the aromatic amino acids tyrosine and tryptophan are sensitive
A K Pani et al.
General pharmacology, 31(1), 67-73 (1998-05-22)
1. The efficacies of various agents that affect monoamine synthesis, oxidation and methylation were evaluated in the scallop, Placopecten magellanicus, through the use of high performance liquid chromatography with electrochemical detection. 2. Central ganglia, labial palps and feet from animals
Maki Okada et al.
Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism, 31(1), 124-131 (2010-04-22)
The catecholamine, dopamine (DA), is synthesized from 3,4-dihydroxy-L-phenylalanine (L-DOPA) by aromatic L-amino acid decarboxylase (AADC). Dopamine metabolism is regulated by monoamine oxidase (MAO) and catechol-O-methyltransferase (COMT). To measure dopaminergic metabolism, we used microdialysis with radiometric detection to monitor L-[β-(11)C]DOPA metabolites
Raghvendra K Dubey et al.
Hypertension (Dallas, Tex. : 1979), 42(3), 349-355 (2003-08-13)
Local sequential conversion of estradiol to hydroxyestradiols and methoxyestradiols by CYP450 and catechol-O-methyltransferase, respectively, contributes to the antimitogenic effects of estradiol on glomerular mesangial cell growth via estrogen receptor-independent mechanisms. Catecholamines are also substrates for catechol-O-methyltransferase and therefore, might abrogate
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

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