Compounds > 4-cyanobenzaldehyde
Page last updated: 2024-11-06

4-cyanobenzaldehyde

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

4-Cyanobenzaldehyde is an important organic compound used as a building block in the synthesis of various organic compounds. It is synthesized through a multi-step process that typically involves the nitration of toluene, followed by reduction to the corresponding amine, and then finally oxidation to the aldehyde. 4-cyanobenzaldehyde is a versatile building block in organic synthesis and has been used in the preparation of various pharmaceuticals, agrochemicals, and other fine chemicals. It is also a key intermediate in the synthesis of various liquid crystals and other materials with interesting optical properties. Studies on 4-cyanobenzaldehyde focus on its reactivity, its use in the synthesis of new and interesting molecules, and its potential applications in different fields. 4-cyanobenzaldehyde has been studied for its potential use in the synthesis of new materials with enhanced properties. For example, 4-cyanobenzaldehyde has been used to synthesize new liquid crystals with improved properties.'

Cross-References

ID SourceID
PubMed CID66042
CHEMBL ID1922276
CHEBI ID156308
SCHEMBL ID7047
MeSH IDM0470449

Synonyms (50)

Synonym
AC-283
EN300-20402
BB 0260077
nsc5091
wln: vhr dcn
p-formylbenzonitrile
nsc-5091
4-cyanobenzaldehyde ,
benzonitrile, p-formyl-
benzonitrile, 4-formyl-
usaf kf-1
benzaldehyde, p-cyano-
p-cyanobenzaldehyde
105-07-7
4-formylbenzonitrile
terephthalaldehydonitrile
einecs 203-267-3
nsc 5091
p-cyanobenzenecarboxaldehyde
benzaldehyde,4-cyano mfc8 h5 n1 o1
inchi=1/c8h5no/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6
4-formylbenzonitrile, 95%
STK501695
CHEBI:156308
AKOS000119506
4-methanoylbenzenecarbonitrile
A801147
4-formyl-benzonitrile
dwh62y9tca ,
unii-dwh62y9tca
CHEMBL1922276 ,
bdbm50358749
BP-11467
FT-0601275
AM20060796
SCHEMBL7047
PS-5292
4-cyano benzaldehyde
4-cyano-benzaldehyde
p-cyano benzaldehyde
4-formyl benzonitrile
4-cyanobenzal-dehyde
DTXSID6059312
J-650097
STR00719
W-108795
mfcd00003376
CS-W001948
F0001-0136
Z104478052

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" Inhibitors 51 and 54 demonstrated oral bioavailability in a rat PK study."( Discovery of novel sphingosine kinase-1 inhibitors. Part 2.
Asmussen, G; Booker, M; Fitzgerald, M; Hirth, B; Kane, JL; Klaus, C; Liao, J; Noson, KD; Xiang, Y; Yee, C, 2010)		0.36
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzaldehydesAny arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof.
[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 (2)

Assay IDTitleYearJournalArticle
AID632143Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 10 mins by plate reader2011Bioorganic & medicinal chemistry, Dec-01, Volume: 19, Issue:23
Identification of novel CYP2A6 inhibitors by virtual screening.
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).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 35.49

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 Index35.49 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.63 (4.65)
Search Engine Demand Index42.49 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (35.49)

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%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
gamma-aminobutyric acid
gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.		2.2110amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxybenzaldehyde
[no description available]		2.2110hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
benzaldehyde
[no description available]		2.6320benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
4-nitrobenzaldehyde
4-nitrobenzaldehyde: RN given refers to parent cpd. 4-nitrobenzaldehyde : A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group.		2.6320benzaldehydes;
C-nitro compound
phenylacetaldehyde
[no description available]		2.2110alpha-CH2-containing aldehyde;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
vanillin
Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).		2.2110benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
no 711
[no description available]		2.2110diarylmethane
levodopa
Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease		2.0110amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
1-naphthaldehyde
1-naphthaldehyde: structure. naphthaldehyde : An aldehyde in which the organyl group is a naphthyl group.. 1-naphthaldehyde : A naphthaldehyde with a formyl group at position 1.		2.2110naphthaldehydemouse metabolite
2-naphthaldehyde
2-naphthaldehyde: structure. 2-naphthaldehyde : A naphthaldehyde that is naphthalene substituted by a formyl group at position 2.		2.2110naphthaldehydemouse metabolite
2-chlorobenzaldehyde
[no description available]		2.2110
salicylaldehyde
o-hydroxybenzaldehyde: structure in first source		2.2110hydroxybenzaldehydenematicide;
plant metabolite
hydratropic aldehyde
2-phenylpropanal : A member of the class of phenylacetaldehydes that is phenylacetaldehyde in which a hydrogen alpha to the aldehyde carbonyl group has been replaced by a methyl group. The major species at pH 7.3.		2.2110phenylacetaldehydes
furaldehyde
Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.		2.2110aldehyde;
furans		Maillard reaction product;
metabolite
thiophene-2-carboxaldehyde
thiophene-2-carboxaldehyde: structure in first source. formylthiophene : An aldehyde that is thiophene substituted by a formyl group at position 2.		2.2110aldehyde;
thiophenes		metabolite
3-nitrobenzaldehyde
[no description available]		2.2110
4-(dimethylamino)benzaldehyde
p-dimethylaminobenzaldehyde: structure in first source. 4-(dimethylamino)benzaldehyde : A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine.		2.2110benzaldehydes;
substituted aniline;
tertiary amino compound		chromogenic compound
4-methylbenzaldehyde
p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position.		2.2110tolualdehydeplant metabolite
4-chlorobenzaldehyde
[no description available]		2.6320
piperonal
piperonal: has been used as a pediculicide; structure. piperonal : An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum.		2.2110arenecarbaldehyde;
benzodioxoles		fragrance;
insect repellent;
plant metabolite
syringaldehyde
syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity.		2.2110dimethoxybenzene;
hydroxybenzaldehyde		hypoglycemic agent;
plant metabolite
2-Methoxybenzaldehyde
[no description available]		2.2110carbonyl compound
3-pyridinaldehyde
pyridine-3-carbaldehyde : A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.		2.2110pyridinecarbaldehyde
2-methylbenzaldehyde
2-methylbenzaldehyde: structure in first source. o-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 2-position.		2.2110tolualdehydeplant metabolite
2-nitrobenzaldehyde
2-nitrobenzaldehyde: structure given in first source. 2-nitrobenzaldehyde : Benzaldehyde substituted at the ortho-position with a nitro group.		2.2110benzaldehydes;
C-nitro compound
3-methoxybenzaldehyde
3-methoxybenzaldehyde : A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group.		2.2110benzaldehydes;
monomethoxybenzene		Brassica napus metabolite
4-cyanobenzoic acid
[no description available]		7.0110
3-methylbenzaldehyde
3-methylbenzaldehyde: structure in first source. m-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 3-position.		2.2110tolualdehydeplant metabolite
diphenylacetaldehyde
diphenylacetaldehyde: structure in first source		2.2110
pyrrole-2-carboxaldehyde
2-pyrrolecarboxaldehyde: structure in first source. pyrrole-2-carboxaldehyde : A pyrrole carrying a formyl substituent at the 2-position.		2.21101,3-thiazole-2-carbaldehyde;
pyrroles
pyridine-2-carboxaldehyde
pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.		2.2110pyridinecarbaldehyde
4-anisaldehyde
4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.		2.2110benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
3-phenoxybenzaldehyde
[no description available]		2.2110
tiagabine
Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES.. tiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy.		2.2110beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
4-(trifluoromethyl)benzaldehyde
[no description available]		2.2110benzaldehydes
4-fluorobenzaldehyde
[no description available]		2.6320
9-anthraldehyde
[no description available]		2.2110
quinoline-4-carbaldehyde
[no description available]		2.2110
2-quinolinecarboxaldehyde
2-quinolinecarboxaldehyde: structure in first source		2.2110
2-bromobenzaldehyde
2-bromobenzaldehyde: structure in first source		2.2110
4-methoxy-1-naphthalaldehyde
4-methoxy-1-naphthalaldehyde: used for fluorometric assays for isozymes of human alcohol dehydrogenase; structure given in first source		2.2110
benzo(b)thiophene-2-carboxylic acid
benzo(b)thiophene-2-carboxylic acid: for prevention of osteoporosis; structure given in first source		2.0610
lilial
[no description available]		2.2110
2-benzyloxybenzaldehyde
[no description available]		2.2110
cinnamaldehyde
3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.		2.21103-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
lithium
Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.		2.0510alkali metal atom
beta-proline
beta-proline: RN given refers to cpd without isomeric designation; structure given in first source		2.2110
sphingosine kinase
[no description available]		2.0510
ConditionIndicatedRelationship StrengthStudiesTrials