4-hydoxy-1-(3-pyridyl)-1-butanone profile

4-hydoxy-1-(3-pyridyl)-1-butanone: structure given in first source; may be metabolic product of tobacco-specific nitrosamines [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	107819
CHEMBL ID	17416
CHEBI ID	82563
SCHEMBL ID	2945748
MeSH ID	M0200266

Synonym
59578-62-0
4-hydroxy-1-(3-pyridyl)-1-butanone
4-hpb
chebi:82563 ,
CHEMBL17416
KTXUGZHJVRHQGP-UHFFFAOYSA-N
4-(3-pyridyl)-4-oxobutanol
4-hydroxy-1-pyridin-3-ylbutan-1-one
AKOS006278678
C19565
4-hydroxy-1-(3-pyridinyl)-1-butanone
FT-0670076
FT-0670074
FT-0670075
4-hydoxy-1-(3-pyridyl)-1-butanone
z79cgy64xc ,
1-butanone, 4-hydroxy-1-(3-pyridinyl)-
unii-z79cgy64xc
SCHEMBL2945748
DTXSID40208240
AS-61914
W11994
4-hydroxy-1-(pyridin-3-yl)butan-1-one
Q27156077
mfcd01320411
4-hydroxy-1-(3-pyridyl)-1-butanone (hpb)
SB84868
CS-0315776

Class	Description
aromatic ketone	A ketone in which the carbonyl group is attached to an aromatic ring.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Assay ID	Title	Year	Journal	Article
AID22924	Rate of formation of compound by F-344 rat liver microsomes	1980	Journal of medicinal chemistry, Nov, Volume: 23, Issue:11	Metabolic beta-hydroxylation and N-oxidation of N'-nitrosonornicotine.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1 (4.55)	18.7374
1990's	7 (31.82)	18.2507
2000's	10 (45.45)	29.6817
2010's	4 (18.18)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (4.35%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	22 (95.65%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
4-oxo-4-(3-pyridyl)butanoic acid 4-oxo-4-(3-pyridyl)butanoic acid: structure in first source. 4-oxo-4-(pyridin-3-yl)butanoic acid : A monocarboxylic acid that is succinic acid in which the hydroxy group of one of the carboxy groups is replaced by a pyridin-3-yl group. A byproduct of tobacco-specific N-nitrosamines generated by cytochrome P-450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation, this nicotine metabolite is commonly found in the urine of smokers.	2.03	1	aromatic ketone; monocarboxylic acid; pyridines
4-biphenylamine 4-biphenylamine: used in detection of sulfates, & as a carcinogen in cancer research; RN given refers to parent cpd; structure. biphenyl-4-amine : An aminobiphenyl that is biphenyl substituted by an amino group at position 4.	1.98	1	aminobiphenyl	carcinogenic agent
pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms.	1.99	1	alkane; volatile organic compound	non-polar solvent; refrigerant
n'-nitrosoanabasine N'-nitrosoanabasine: structure; RN given refers to cpd without isomeric designation	2.13	1	citraconoyl group
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	1.98	1	dihydrogen
n'-nitrosonornicotine N'-nitrosonornicotine: structure; a potent carcinogen in laboratory animals	4.6	8	pyridines; pyrrolidines
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone: structure; from tobacco smoke	4.6	8	nitrosamine; pyridines
o-(6)-methylguanine O-(6)-methylguanine: structure. 6-O-methylguanine : A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA.. methylguanine : A 2-aminopurine that is guanine bearing a single methyl substituent.	1.98	1	methylguanine	mutagen
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	2.52	2	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
myosmine myosmine: alkaloid found in Nicotiana; structure. myosmine : A member of the class of pyridines that is pyridine substituted by a 3,4-dihydro-2H-pyrrol-5-yl group at position 3. It is an alkaloid found in tobacco plants and exhibits genotoxic effects.	2.7	3	pyridine alkaloid; pyrroline	EC 1.14.14.14 (aromatase) inhibitor; mutagen; plant metabolite
n'-nitrosoanatabine N'-nitrosoanatabine: nitroso cpd prepared from alkaloid anatabine; structure given in first source	2.13	1
cotinine Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.	2.41	2	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
guanine [no description available]	1.98	1	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite

Condition	Relationship Strength	Studies
Cancer of Pancreas [description not available]	2.02	1
Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).	2.02	1
Adenocarcinoma, Basal Cell [description not available]	2.42	2
Carcinoma, Epidermoid [description not available]	2.03	1
Cancer of Lung [description not available]	3.32	2
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	2.42	2
Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)	2.03	1
Lung Neoplasms Tumors or cancer of the LUNG.	3.32	2
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	2.44	2
Death, Sudden The abrupt cessation of all vital bodily functions, manifested by the permanent loss of total cerebral, respiratory, and cardiovascular functions.	2.04	1
Cancer of Nose [description not available]	1.98	1
Cancer of Esophagus [description not available]	2.01	1
Esophageal Neoplasms Tumors or cancer of the ESOPHAGUS.	2.01	1

4-hydoxy-1-(3-pyridyl)-1-butanone

Description

Cross-References

Synonyms (28)

Drug Classes (1)

Bioassays (1)

Research

Studies (22)

Study Types