Compounds > 3-oxo-3-phenylpropanenitrile
Page last updated: 2024-12-06

3-oxo-3-phenylpropanenitrile

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

Description

3-oxo-3-phenylpropanenitrile: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID64799
CHEMBL ID3251047
CHEBI ID51855
SCHEMBL ID136826
MeSH IDM0365699

Synonyms (76)

Synonym
AC-20652
EN300-17202
hydrocinnamonitrile, .beta.-oxo-
nsc4713
benzenepropanenitrile, .beta.-oxo-
acetonitrile, benzoyl-
nsc-4713
acetophenone, 2-cyano-
benzoylacetonitrile
614-16-4
2-cyanoacetyl phenone
cyanomethyl phenyl ketone
.alpha.-cyanoacetophenone
cyanoacetophenone
.omega.-cyanoacetophenone
3-phenyl-3-ketopropionitrile
2-cyanoacetophenone
phenacyl cyanide
ENAMINE_005459
AC-907/25014239
3-oxo-3-phenylpropanenitrile
3-oxo-3-phenyl-propanenitrile
benzoylacetonitrile, 99%
STK331099
beta-oxobenzenepropanenitrile
beta-oxohydrocinnamonitrile
alpha-cyanoacetophenone
omega-cyanoacetophenone
CHEBI:51855 ,
B0098
inchi=1/c9h7no/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5h,6h2
zjrciqamtaincb-uhfffaoysa-
AKOS000206307
HMS1409I03
A833208
3-oxidanylidene-3-phenyl-propanenitrile
A8519
3-oxo-3-phenyl-propionitrile
3-o-3-phenylpropanenitrile
benzenepropanenitrile, beta-oxo-
nsc 4713
unii-afi9jb57h3
ai3-04364
einecs 210-369-1
hydrocinnamonitrile, beta-oxo-
afi9jb57h3 ,
benzoyl acetonitrile
3-oxo-3-phenylpropionitrile
FT-0612106
AM20060386
CL8636
2-caynoacetophenone
CHEMBL3251047
SCHEMBL136826
SY011838
mfcd00001942
ss--oxohydrocinnamonitrile
3-oxo-3-phenylpropionitril
beta-oxo-2-benzenepropanenitrile
DTXSID7060629
TS-01896
Q-101252
J-513011
F0001-1618
CS-W004658
Z56899088
benzoylcyanomethane
.beta.-oxobenzenepropionitrile
.beta.-oxobenzenepropanenitrile
i(2)-oxobenzene-propanenitrile
Q27122832
BCP31453
2-cyanoacetyl phenone;3-phenyl-3-ketopropionitrile;3-oxo-3-phenylpropanenitrile;phenacyl cyanide
benzenepropanenitrile, b-oxo-
cl-225385
SB40622
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
beta-ketonitrileA ketonitrile in which the cyano group and the carbonyl group are attached to the same carbon atom.
aromatic ketoneA 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]

Bioassays (10)

Assay IDTitleYearJournalArticle
AID1131127Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as inhibition of swelling at 25 mg/kg, po measured on day 14 (Rvb = 0%)1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID1131125Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as inhibition of swelling at 100 mg/kg, po measured on day 14 (Rvb = 0%)1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID1131134Antiinflammatory activity against carrageenin-induced edema in rat1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID1131126Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as inhibition of swelling at 50 mg/kg, po measured on day 14 (Rvb = 0%)1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID1131131Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as inhibition of swelling at 100 mg/kg, po measured on day 21 (Rvb = 0%)1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID1131132Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as inhibition of swelling at 50 mg/kg, po measured on day 21 (Rvb = 0%)1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID1131135Antiinflammatory activity against UV-induced erythema in guinea pig1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID1131136Ulcerogenicity in rat at 800 mg/kg administered daily1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID1131133Antiinflammatory activity against adjuvant-induced arthritis rat model assessed as inhibition of swelling at 25 mg/kg, po measured on day 21 (Rvb = 0%)1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Potential antiarthritic agents. 2. Benzoylacetonitriles and beta-aminocinnamonitriles.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
[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-19901 (20.00)18.7374
1990's1 (20.00)18.2507
2000's0 (0.00)29.6817
2010's3 (60.00)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: 21.83

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

MetricThis Compound (vs All)
Research Demand Index21.83 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.32 (4.65)
Search Engine Demand Index18.60 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (21.83)

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%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.		1.9510aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
hydrazine
diamine : Any polyamine that contains two amino groups.		2.1510azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
podophyllotoxin
Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.		2.1510furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
1-cyano-3-butene
4-pentenenitrile: an unsaturated aliphatic nitrile; structure in first source		2.110
1-cyano-3,4-epithiobutane
1-cyano-3,4-epithiobutane: RN given refers to parent cpd		2.110organosulfur heterocyclic compound;
saturated organic heteromonocyclic parent
indole-3-acetonitrile
indole-3-acetonitrile: occurs in edible cruciferous vegetables. indole-3-acetonitrile : A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group.		2.110indoles;
nitrile		auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite
dihydropyridines
Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position.		2.1510
glucobrassicin
glucobrassicin: isolated from Brussels sprouts; structure given in first source. glucobrassicin : An indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur.		2.110indolyl carbohydrate;
indolylmethylglucosinolic acid
gluconasturtiin
gluconasturtiin: hydrolysis yields phenylethyl isothiocyanate; structure in first source. gluconasturtiin : An aralkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 3-phenyl-N-(sulfooxy)propanimidoyl group at the anomeric sulfur.		2.110aralkylglucosinolic acid;
benzenes
progoitrin
progoitrin: RN given refers to (R)-isomer; structure. epi-progoitrin : The stereoisomer of xi-progoitrin that has S at the carbon bearing the allylic hydroxy group.. progoitrin : The stereoisomer of xi-progoitrin that has R at the carbon bearing the allylic hydroxy group.		2.110alkylglucosinolate
ConditionIndicatedRelationship StrengthStudiesTrials
Adjuvant Arthritis
[description not available]		01.9510
Anasarca
[description not available]		01.9510
Edema
Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.		01.9510
Erythema
Redness of the skin produced by congestion of the capillaries. This condition may result from a variety of disease processes.		01.9510
Encephalitis, Polio
[description not available]		02.0610
Poliomyelitis
An acute infectious disease of humans, particularly children, caused by any of three serotypes of human poliovirus (POLIOVIRUS). Usually the infection is limited to the gastrointestinal tract and nasopharynx, and is often asymptomatic. The central nervous system, primarily the spinal cord, may be affected, leading to rapidly progressive paralysis, coarse FASCICULATION and hyporeflexia. Motor neurons are primarily affected. Encephalitis may also occur. The virus replicates in the nervous system, and may cause significant neuronal loss, most notably in the spinal cord. A rare related condition, nonpoliovirus poliomyelitis, may result from infections with nonpoliovirus enteroviruses. (From Adams et al., Principles of Neurology, 6th ed, pp764-5)		02.0610
Acute Liver Injury, Drug-Induced
[description not available]		02.110
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.110
Chemical and Drug Induced Liver Injury
A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.		02.110