Page last updated: 2024-12-06

4-nitrobenzyl alcohol

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

Description

4-nitrobenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol substituted at the para-position by a nitro group. [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 CID69275
CHEMBL ID153580
CHEBI ID41214
SCHEMBL ID114620
SCHEMBL ID2045837
SCHEMBL ID15630260
MeSH IDM0135629

Synonyms (62)

Synonym
(4-nitrophenyl)-methanol
p-(hydroxymethyl)nitrobenzene
benzenemethanol, 4-nitro-
4-nitrobenzyl alcohol
619-73-8
nsc-5389
benzyl alcohol, p-nitro-
nsc5389
p-nitrobenzyl alcohol
einecs 210-611-6
ccris 5118
4-nitrobenzenemethanol
brn 1424026
nsc 5389
(4-nitrophenyl)methanol
inchi=1/c7h7no3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9h,5h
4-nitrobenzyl alcohol, 99%
paranitrobenzyl alcohol
4nba
AC-10994
chebi:41214 ,
CHEMBL153580
N0180
AKOS000120684
A833513
86btj68y9m ,
4-06-00-02611 (beilstein handbook reference)
unii-86btj68y9m
FT-0619216
PS-5309
AM20060312
EPITOPE ID:164148
S12315
nitrobenzyl alcohol, 4-
4-(hydroxymethyl)nitrobenzene
p-nitrophenylmethanol
1-(hydroxymethyl)-4-nitrobenzene
(4-nitro-phenyl)-methanol
4-nitro-benzyl alcohol
4-nitrobenzylalcohol
4-nitro-benzylalcohol
SCHEMBL114620
SCHEMBL2045837
(4-nitrophenyl)methanol #
4-no2-c6h4ch2oh
NCGC00357065-01
tox21_303773
cas-619-73-8
dtxsid1052298 ,
dtxcid5030870
W-105065
SCHEMBL15630260
mfcd00007376
Z104486562
SY003765
p-nitrophenylcarbinol
CS-W016286
BCP15778
4-nitrophenylcarbinol
Q26840765
EN300-21036
STL195621
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
xenobiotic metaboliteAny metabolite produced by metabolism of a xenobiotic compound.
[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
benzyl alcoholsCompounds containing a phenylmethanol skeleton.
C-nitro compoundA nitro compound having the nitro group (-NO2) attached to a carbon atom.
[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 (1)

PathwayProteinsCompounds
4-nitrotoluene degradation I310

Protein Targets (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency1.32950.001530.607315,848.9004AID1224841; AID1259401
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Sulfotransferase 1A1 Rattus norvegicus (Norway rat)Km199.00005.00007.571410.0000AID39219
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (7)

Assay IDTitleYearJournalArticle
AID229377Ratio of kcat/Km determined for catalytic efficiency in sulfonation against AST IV2002Journal of medicinal chemistry, Dec-05, Volume: 45, Issue:25
Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.
AID67617Drug concentration required to achieve 50% kill of EMT6 cells under hypoxic conditions.1980Journal of medicinal chemistry, Aug, Volume: 23, Issue:8
Nitrobenzyl halides and carbamates as prototype bioreductive alkylating agents.
AID232392Ratio of ED50 (aerobic) to ED50 (hypoxic)1980Journal of medicinal chemistry, Aug, Volume: 23, Issue:8
Nitrobenzyl halides and carbamates as prototype bioreductive alkylating agents.
AID67618Drug concentration required to achieve 50% kill of EMT6 cells under oxygenated conditions.1980Journal of medicinal chemistry, Aug, Volume: 23, Issue:8
Nitrobenzyl halides and carbamates as prototype bioreductive alkylating agents.
AID39220Maximal velocity (Vmax) against Arylsulfotransferase (AST IV)2002Journal of medicinal chemistry, Dec-05, Volume: 45, Issue:25
Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.
AID39219Apparent Michaelis constant (Km) against Arylsulfotransferase (AST IV)2002Journal of medicinal chemistry, Dec-05, Volume: 45, Issue:25
Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling.
AID1524436Substrate activity at recombinant Haemophilus influenzae Chloramphenicol nitroreductase expressed in Escherichia coli assessed as initial rate of reaction at 150 uM measured at 30 sec interval for 5 mins in presence of NADPH at pH 8 under 37 degC by UV-vi2019Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9
Investigating the promiscuity of the chloramphenicol nitroreductase from Haemophilus influenzae towards the reduction of 4-nitrobenzene derivatives.
[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-19903 (30.00)18.7374
1990's0 (0.00)18.2507
2000's3 (30.00)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: 37.35

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 Index37.35 (24.57)
Research Supply Index2.48 (2.92)
Research Growth Index4.71 (4.65)
Search Engine Demand Index46.32 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (37.35)

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%
Other11 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]