Page last updated: 2024-12-06

4-trifluoromethylphenol

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

Description

4-trifluoromethylphenol: metabolite of fluoxetine; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

4-(trifluoromethyl)phenol : A member of the class of (trifluoromethyl)benzenes that is p-cresol in which the methyl group is perfluorinated. It is a metabolite of the drug fluoxetine. [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 CID67874
CHEMBL ID539165
CHEBI ID42578
SCHEMBL ID57109
MeSH IDM0283609

Synonyms (65)

Synonym
402-45-9
nsc88303
nsc-88303
EN300-16616
.alpha.,.alpha.,.alpha.-trifluoro-p-cresol
4-(trifluoromethyl)-phenol
alpha,alpha,alpha-trifluoro-p-cresol
DB03610
4-(trifluoromethyl)phenol, 97%
4-hydroxybenzotrifluoride
4-trifluoromethylphenol
CHEBI:42578 ,
4-(trifluoromethyl)phenol
AC-2562
CHEMBL539165
sr-1c13
inchi=1/c7h5f3o/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11h
baygvmxzjbfemb-uhfffaoysa-
4-hydroxy-alpha,alpha,alpha-trifluorotoluene
H0644
p-trifluoromethylphenol
AKOS000121599
4-(trifluoromethyl)phenol;4-hydroxybenzotrifluoride
A6731
a,a,a-trifluoro-p-cresol
unii-g8pmo13po4
ai3-26185
nsc 88303
phenol, 4-(trifluoromethyl)-
g8pmo13po4 ,
einecs 206-945-7
CCG-40536
p-hydroxybenzotrifluoride
BP-12755
FT-0600891
AM20060195
SCHEMBL57109
4-trifluoromethyl phenol
4-trifluoromethyl-phenol
p-(trifluoromethyl)-phenol
4-(trifluoromethyl) phenol
4-hydroxybenzotri-fluoride
4-trifiuoromethylphenol
4-(trifluoromethyl)phenyl alcohol
4-trifluoromethyphenol
4-trifluromethyl-phenol
4-(trifluoromethyl)phenol #
W-106373
AS-8193
mfcd00002363
DTXSID2075392
para-trifluoromethylphenol
CS-W001935
Z56347220
73073-69-5
p-(trifluoromethyl)phenol radical cation
F0001-1137
.alpha.,.alpha.,.alpha.-trifluoro-4-cresol
p-cresol, .alpha.,.alpha.,.alpha.-trifluoro-
trifluoromethylphenol, p-
Q27094528
mlpxzynpcsaqfs-uhfffaoysa-n
SY002047
PD006771
4-(trifluoromethyl)phenol radical ion(1+)
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (2)

RoleDescription
marine xenobiotic metaboliteAny metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
drug metabolitenull
[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 (2)

ClassDescription
phenolsOrganic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
(trifluoromethyl)benzenesAn organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens.
[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]

Bioassays (5)

Assay IDTitleYearJournalArticle
AID303044Cytotoxicity against human MIA PaCa2 cells after 72 hrs by MTT assay2007Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23
Synthesis and evaluation of 3-aryloxymethyl-1,2-dimethylindole-4,7-diones as mechanism-based inhibitors of NAD(P)H:quinone oxidoreductase 1 (NQO1) activity.
AID303043Cytotoxicity against human MIA PaCa2 cells after 4 hrs by MTT assay2007Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23
Synthesis and evaluation of 3-aryloxymethyl-1,2-dimethylindole-4,7-diones as mechanism-based inhibitors of NAD(P)H:quinone oxidoreductase 1 (NQO1) activity.
AID699051Binding affinity to Mycobacterium smegmatis mc2 155 EthR assessed as protein thermal unfolding at 20 uM by SYPRO Orange dye based thermal shift assay2012Journal of medicinal chemistry, Jul-26, Volume: 55, Issue:14
Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.
AID1268194Drug level in HEPES buffer treated with 200 uM (S)-4-(trifluoromethyl)phenyl 3-(2-amino-4-methylpentanamido)propane-1-sulfonate in presence of aeromonas proteolytica aminopeptidase by spectrophotometry2016Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
Development of a novel sulfonate ester-based prodrug strategy.
AID237685Lipophilicity determined as logarithm of the partition coefficient in the alkane/water system2005Journal of medicinal chemistry, May-05, Volume: 48, Issue:9
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (10)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's1 (10.00)18.2507
2000's5 (50.00)29.6817
2010's4 (40.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 36.61

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 strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index36.61 (24.57)
Research Supply Index2.40 (2.92)
Research Growth Index4.66 (4.65)
Search Engine Demand Index41.24 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (36.61)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other10 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]