Details
Stereochemistry | ACHIRAL |
Molecular Formula | C7H8O3 |
Molecular Weight | 140.1366 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O)C(O)=CC=C1
InChI
InChIKey=LPYUENQFPVNPHY-UHFFFAOYSA-N
InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3
Molecular Formula | C7H8O3 |
Molecular Weight | 140.1366 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
PubMed
Title | Date | PubMed |
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Molecular mechanisms controlling the rate and specificity of catechol O-methylation by human soluble catechol O-methyltransferase. | 2001 Feb |
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In vitro activity of polyhydroxycarboxylates against herpesviruses and HIV. | 2001 Nov |
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Vibrational analysis of substituted phenols: part I. Vibrational spectra, normal coordinate analysis and transferability of force constants of some formyl-, methoxy-, formylmethoxy-, methyl- and halogeno-phenols. | 2002 Dec |
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Quantitative structure toxicity relationships for catechols in isolated rat hepatocytes. | 2004 Apr 15 |
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Alanine 101 and alanine 110 of the alpha subunit of Pseudomonas stutzeri OX1 toluene-o-xylene monooxygenase influence the regiospecific oxidation of aromatics. | 2005 Dec 5 |
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The reactivity of ortho-methoxy-substituted catechol radicals with sulfhydryl groups: contribution for the comprehension of the mechanism of inhibition of NADPH oxidase by apocynin. | 2007 Aug 1 |
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The oxidation of apocynin catalyzed by myeloperoxidase: proposal for NADPH oxidase inhibition. | 2007 Jan 15 |
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Prevention of estrogen-DNA adduct formation in MCF-10F cells by resveratrol. | 2008 Jul 15 |
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Urine biomarkers of risk in the molecular etiology of breast cancer. | 2009 Jan 6 |
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A previously uncultured, paper mill Propionibacterium is able to degrade O-aryl alkyl ethers and various aromatic hydrocarbons. | 2009 Jun |
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Oxidative stress and vascular function: implications for pharmacologic treatments. | 2010 Jun |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8416747
Multi-organ cancer was induced in rats by application of 100 mg/kg of body weight diethylnitrosamine intraperitoneal injection, 4 times intraperitoneal injection of 20 mg/kg of body weight N-methylnitrosourea, 4 times subcutaneous injection of 40 mg/kg of body weight dimethylhydrazine, 0.05% oral N-butyl-N-(4-hydroxybutyl)nitrosamine in the drinking water for the first 2 weeks and 0.1% oral 2,2'-dihydroxy-di-n-propylnitrosamine in the drinking water for the next 2 weeks. Starting 3 days after completion of these carcinogen treatments animals were given diets containing 2% butylated hydroxyanisole, 0.8% catechol, 2% 3-methoxycatechol, or basal diet either alone or in combination with 0.3% sodium nitrite until week 28 when a complete autopsy was performed. The combination of NaNO2 with 3-methoxycatechol inhibited glandular stomach lesions with or without carcinogen exposure. However, 3-Methoxycatechol promoted esophageal carcinogenesis either with or without NaNO2.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15135085
Hepatocytes were isolated from rats by collagenase perfusion of the liver. Isolated hepatocytes were suspended in Krebs-Henseleit buffer (pH 7.4) containing HEPES (12.5 mM) in continuous rotation at 37 deg-C under a 5% CO2 atmosphere. After 30 min an aliquot of 3-methoxycatechol was added and the hepatocytes were incubated for another 2 hours. The concentration at which the compound caused 50% cell death was determined by counting the number of cells that excluded trypan blue. 3-methoxychatechol demonstrated an LD50 of 240 micro-M after 2 hours.
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:13:59 GMT 2023
by
admin
on
Fri Dec 15 19:13:59 GMT 2023
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Record UNII |
IC13U5393C
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Record Status |
Validated (UNII)
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Record Version |
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C066344
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IC13U5393C
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