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重要文件

D131

Sigma-Aldrich

3,5-Dinitrocatechol

solid

同義詞:

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

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About This Item

經驗公式(希爾表示法):
C6H4N2O6
CAS號碼:
分子量::
200.11
MDL號碼:
分類程式碼代碼:
12352202
PubChem物質ID:
NACRES:
NA.77

生物源

synthetic (organic)

品質等級

化驗

≥98% (HPLC)

形狀

solid

顏色

yellow

mp

168-170  °C

溶解度

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

儲存溫度

2-8°C

SMILES 字串

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 密鑰

VDCDWNDTNSWDFJ-UHFFFAOYSA-N

基因資訊

human ... COMT(1312)

應用

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.

品質

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

注意

Photosensitive

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

Eyeshields, Gloves, type N95 (US)


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分析證明 (COA)

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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)
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J Schmidt et al.
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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)
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