Page last updated: 2024-12-05

4-methylbenzaldehyde

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position. [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]

Cross-References

ID SourceID
PubMed CID7725
CHEMBL ID190927
CHEBI ID28617
SCHEMBL ID29171
MeSH IDM0074513

Synonyms (75)

Synonym
AC-16956
p-tolylaldehyde
nsc-2224
p-toluylaldehyde
4-tolualdehyde
nsc2224
benzaldehyde, 4-methyl-
hsdb 5361
ai3-24380
para-methylbenzaldehyde
ccris 2942
einecs 203-246-9
nsc 2224
para-toluyl aldehyde
para-tolualdehyde
inchi=1/c8h8o/c1-7-2-4-8(6-9)5-3-7/h2-6h,1h
p-methylbenzaldehyde
p-formyltoluene
4-methylbenzaldehyde ,
104-87-0
p-tolualdehyde
C06758
4-toluylaldehyde
p-tolualdehyde, 97%
p-tolualdehyde, >=97%, fg
p-4-methylbenzaldehyde
paratolualdehyde
CHEBI:28617 ,
BMSE000527
ptal
p-tolualdehyde, c
bdbm50159265
4-toluicaldehyde
4-methyl-benzaldehyde
CHEMBL190927 ,
FT-0652962
T1073
T0259
AKOS000119345
4-methylbenzaldehyde;p-tolualdehyde
A801081
tolualdehyde, p-
gax22qz28q ,
unii-gax22qz28q
PS-5663
fema no. 3068, p-
p-tolualdehyde [fcc]
4-methylbenzaldehyde [inci]
4-methylbenzaldehyde [hsdb]
p-tolyl aldehyde
SCHEMBL29171
p-tolu-aldehyde
p-tolyl-methanone
p-methyl benzaldehyde
4-methyl benzaldehyde
p-toluenealdehyde
dtxcid7021520
dtxsid9041520 ,
tox21_304012
cas-104-87-0
NCGC00357225-01
W-108803
F2190-0585
mfcd00006954
p-tolualdehyde, analytical standard
ozagrel sodium impurity 19
p-tolualdehyde, vetec(tm) reagent grade, 97%
p-toluic aldehyde
CS-W013576
Q3266675
2,2,5,5-tetrachlorobenzophenone
STL194064
HY-W012860
EN300-20307
Z104477698

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" Potent and specific inhibitors of the CYP2A6 enzyme can be used in the future to increase nicotine bioavailability and thus make oral nicotine administration feasible in smoking cessation therapy."( Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
Juvonen, RO; Poso, A; Rahnasto, M; Raunio, H; Wittekindt, C, 2005
)
0.33
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
plant metaboliteAny eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
[role 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]

Drug Classes (1)

ClassDescription
tolualdehydeA benzaldehyde compound having a methyl group in an unspecified position.
[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]

Pathways (2)

PathwayProteinsCompounds
1,4-dimethylbenzene degradation to 4-methylbenzoate39
p-xylene degradation to p-toluate26

Protein Targets (4)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency17.60520.057821.109761.2679AID1159526; AID1159528
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Polyphenol oxidase 2Agaricus bisporusIC50 (µMol)120.00000.03403.987110.0000AID1799672
Cytochrome P450 2A6Homo sapiens (human)IC50 (µMol)4.88000.00443.889510.0000AID241172
Cytochrome P450 2A5Mus musculus (house mouse)IC50 (µMol)4.68001.00004.20259.7051AID241174
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (6)

Processvia Protein(s)Taxonomy
xenobiotic metabolic processCytochrome P450 2A6Homo sapiens (human)
steroid metabolic processCytochrome P450 2A6Homo sapiens (human)
coumarin metabolic processCytochrome P450 2A6Homo sapiens (human)
xenobiotic catabolic processCytochrome P450 2A6Homo sapiens (human)
coumarin catabolic processCytochrome P450 2A6Homo sapiens (human)
epoxygenase P450 pathwayCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (6)

Processvia Protein(s)Taxonomy
iron ion bindingCytochrome P450 2A6Homo sapiens (human)
coumarin 7-hydroxylase activityCytochrome P450 2A6Homo sapiens (human)
enzyme bindingCytochrome P450 2A6Homo sapiens (human)
heme bindingCytochrome P450 2A6Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygenCytochrome P450 2A6Homo sapiens (human)
arachidonic acid epoxygenase activityCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (4)

Processvia Protein(s)Taxonomy
endoplasmic reticulum membraneCytochrome P450 2A6Homo sapiens (human)
cytoplasmic microtubuleCytochrome P450 2A6Homo sapiens (human)
intracellular membrane-bounded organelleCytochrome P450 2A6Homo sapiens (human)
cytoplasmCytochrome P450 2A6Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (6)

Assay IDTitleYearJournalArticle
AID1799672Inhibition Assay from Article 10.1080/14756360310001613094: \\Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes.\\2003Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 18, Issue:6
Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes.
AID241174Inhibitory concentration against mouse cytochrome P450 2A52005Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID1656235Cytotoxicity against mouse B16F10 cells assessed as reduction in cell viability2019European journal of medicinal chemistry, Feb-15, Volume: 164Green recipes to quinoline: A review.
AID241172Inhibitory concentration against human cytochrome P450 2A62005Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID1544945Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as residual binding at 1 uM incubated for 4 hrs in presence of NO711 by LC-ESI-MS/MS analysis relative to control2019Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13
Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1).
AID299876Antiinflammatory activity against xylene-induced ear edema in Kunming mouse assessed as edema weight at 20 mg/kg, po after 2 hrs relative to control2007Bioorganic & medicinal chemistry, Jul-15, Volume: 15, Issue:14
Toward the development of chemoprevention agents. Part 1: Design, synthesis, and anti-inflammatory activities of a new class of 2,5-disubstituted-dioxacycloalkanes.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (11)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901 (9.09)18.7374
1990's1 (9.09)18.2507
2000's3 (27.27)29.6817
2010's5 (45.45)24.3611
2020's1 (9.09)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 52.34

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be very strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index52.34 (24.57)
Research Supply Index2.48 (2.92)
Research Growth Index4.97 (4.65)
Search Engine Demand Index77.48 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (52.34)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (18.18%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other9 (81.82%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]