200,000+ products from a single source!
sales@angenechem.com
59578-62-0 | 4-Hydroxy-1-(3-pyridyl)-1-butanone
CAS No: 59578-62-0 Catalog No: AG00EEVC MDL No:MFCD01320411
Product Description
Catalog Number:
AG00EEVC
Chemical Name:
4-Hydroxy-1-(3-pyridyl)-1-butanone
CAS Number:
59578-62-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD01320411
IUPAC Name:
4-hydroxy-1-pyridin-3-ylbutan-1-one
InChI:
InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2
InChI Key:
KTXUGZHJVRHQGP-UHFFFAOYSA-N
SMILES:
OCCCC(=O)c1cccnc1
UNII:
Z79CGY64XC
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| In vitro metabolism of N'-Nitrosonornicotine catalyzed by cytochrome P450 2A13 and its inhibition by nicotine, N'-Nitrosoanatabine and N'-Nitrosoanabasine. | Chemico-biological interactions 20161225 |
| Formation, repair, and genotoxic properties of bulky DNA adducts formed from tobacco-specific nitrosamines. | Journal of nucleic acids 20100101 |
| Formation and repair of tobacco carcinogen-derived bulky DNA adducts. | Journal of nucleic acids 20100101 |
| Biotransformation of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in lung tissue from mouse, rat, hamster, and man. | Chemical research in toxicology 20090601 |
| Quantitation of pyridyloxobutyl DNA adducts in nasal and oral mucosa of rats treated chronically with enantiomers of N'-nitrosonornicotine. | Chemical research in toxicology 20090501 |
| Ultrasensitive method for the determination of 4-hydroxy-1-(3-pyridyl)-1-butanone-releasing DNA adducts by gas chromatography-high resolution mass spectrometry in mucosal biopsies of the lower esophagus. | Analytical and bioanalytical chemistry 20090301 |
| Human cyt P450 mediated metabolic toxicity of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) evaluated using electrochemiluminescent arrays. | Molecular bioSystems 20090201 |
| 4-Hydroxy-1-(3-pyridyl)-1-butanone-releasing DNA adducts in lung, lower esophagus and cardia of sudden death victims. | Toxicology 20080312 |
| Haemoglobin adducts as biomarkers of exposure to tobacco-related nitrosamines. | Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20080301 |
| Characterization of environmentally friendly nicotine degradation by Pseudomonas putida biotype A strain S16. | Microbiology (Reading, England) 20070501 |
| Mass spectrometric analysis of 4-hydroxy-1-(3-pyridyl)-1-butanone-releasing DNA adducts in human lung. | Toxicology 20070411 |
| Investigation of the reaction of myosmine with sodium nitrite in vitro and in rats. | Chemical research in toxicology 20070301 |
| Determination of tobacco specific hemoglobin adducts in smoking mothers and new born babies by mass spectrometry. | Biomarker insights 20070101 |
| Reaction of the tobacco alkaloid myosmine with hydrogen peroxide. | Chemical research in toxicology 20060101 |
| Metabolism of myosmine in Wistar rats. | Drug metabolism and disposition: the biological fate of chemicals 20051101 |
| Mass spectrometric analysis of relative levels of pyridyloxobutylation adducts formed in the reaction of DNA with a chemically activated form of the tobacco-specific carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone. | Chemical research in toxicology 20050601 |
| 4-Hydroxy-1-(3-pyridyl)-1-butanone, an indicator for 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone-induced DNA damage, is not detected in human pancreatic tissue. | Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20050201 |
| Identification of adducts formed by pyridyloxobutylation of deoxyguanosine and DNA by 4-(acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanone, a chemically activated form of tobacco specific carcinogens. | Chemical research in toxicology 20030501 |
| Nucleophilic reactions between thiols and a tobacco specific nitrosamine metabolite, 4-hydroxy-1-(3-pyridyl)-1-butanone. | Chemical research in toxicology 20030501 |
| Effects of benzyl isothiocyanate and 2-phenethyl isothiocyanate on benzo[a]pyrene and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone metabolism in F-344 rats. | Carcinogenesis 20030301 |
| The pyridyloxobutyl DNA adduct, O6-[4-oxo-4-(3-pyridyl)butyl]guanine, is detected in tissues from 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone-treated A/J mice. | Chemical research in toxicology 20030101 |
| Effects of benzyl isothiocyanate and phenethyl isothiocyanate on DNA adduct formation by a mixture of benzo[a]pyrene and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in A/J mouse lung. | Carcinogenesis 20020901 |
| Nitrosation of dietary myosmine as risk factor of human cancer. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20020801 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.