所有图片(3)
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
检测方案
≥98% (HPLC)
形式
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)
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
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Gloves, type N95 (US)
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
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
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
C Wiese et al.
Naunyn-Schmiedeberg's archives of pharmacology, 348(6), 582-585 (1993-12-01)
Organotypic primary cell cultures of fetal rat brain were used as a model system to study the effect of COMT inhibitors on the cerebral metabolic conversions of fluoro-DOPA enantiomers. The selective COMT inhibitors OR 486 and CGP 28014 were used
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
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