Page last updated: 2024-12-05

cumene

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

Description

cumene : An alkylbenzene that is benzene carrying an isopropyl 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 CID7406
CHEMBL ID1398949
CHEBI ID34656
MeSH IDM0065269

Synonyms (111)

Synonym
BIDD:ER0700
EN300-19973
propan-2-ylbenzene
CHEBI:34656 ,
(propan-2-yl)benzene
isopropylbenzen
isopropylbenzene
nsc8776
isopropilbenzene
benzene, isopropyl-
98-82-8
cumeen
isopropylbenzol
2-fenyl-propaan
nsc-8776
cumol
(1-methylethyl)benzene
propane, 2-phenyl-
2-fenilpropano
cumene
isopropylbenzeen
2-phenylpropane
isopropyl-benzol
wln: 1y1 & r
benzene, (1-methylethyl)-
benzene,isopropyl cumol
inchi=1/c9h12/c1-8(2)9-6-4-3-5-7-9/h3-8h,1-2h
NCGC00091155-01
isopropylbenzene [un1918] [flammable liquid]
cumene (cumene hydroperoxide (80-15-9))
2-fenyl-propaan [dutch]
un1918
propane, 2-phenyl
2-fenilpropano [italian]
einecs 202-704-5
cumeen [dutch]
rcra waste number u055
isopropylbenzeen [dutch]
isopropyl-benzol [german]
isopropilbenzene [italian]
benzene, 1-methylethyl-
ai3-04630
nsc 8776
benzene, isopropyl
hsdb 172
rcra waste no. u055
cumene, 98%
68333-89-1
68936-98-1
AKOS000269066
MLS002454396
smr001372007
S0652
phenol bottoms
CHEMBL1398949
HMS3039J15
cas-98-82-8
NCGC00260052-01
dtxsid1021827 ,
tox21_202503
dtxcid101827
(methylethyl)benzene
STL282733
68411-37-0
ec 202-704-5
8q54s3xe7k ,
isopropylbenzene [un1918] [flammable liquid]
ccris 9455
unii-8q54s3xe7k
FT-0624111
101316-43-2
i-propylbenzene
cumene [mi]
cumene [usp-rs]
cumene [iarc]
cumene [hsdb]
2-phenyl propane
cumen
4-isopropylbenzene
isopropyl benzene
propane-2-yl-benzene
benzene, i-propyl-
un 1918
J-660071
isopropylbenzene (cumene)
20201-29-0
F0001-2320
mfcd00008881
J-520110
cumene, analytical standard
cumene, pestanal(r), analytical standard
cumene, united states pharmacopeia (usp) reference standard
(1-methylethyl)benzene (cumene)
cumene, pharmaceutical secondary standard; certified reference material
isopropylbenzene 100 microg/ml in methanol
isopropylbenzene 10 microg/ml in methanol
1-methylethyl-benzene
2-phenyl-propane
(1-methylethyl)-benzene
benzene,isopropyl cumol
isopropyl-benzol(german)
iso-propylbenzene (cumene)
1-methylethylbenzene, 9ci
isopropyl-benzene
i-propyl-benzene
4-isopropyl benzene
Q410107
A858512
benzene-1,2,3,4,5-d5,6-[1-(methyl-d3)ethyl-1,2,2,2-d4]-
cumene (usp-rs)
cumene (iarc)

Research Excerpts

Overview

Cumene is a high-production volume chemical that has been shown to be a central nervous system depressant. It has been implicated as a long-term exposure carcinogen in experimental animals.

ExcerptReferenceRelevance
"Cumene is a high-production volume chemical that has been shown to be a central nervous system depressant and has been implicated as a long-term exposure carcinogen in experimental animals. "( Disposition and metabolism of cumene in F344 rats and B6C3F1 mice.
Chen, LJ; Dix, KJ; Kramer, DJ; McDonald, JD; Sanders, JM; Thomas, LA; Wegerski, CJ, 2011
)
2.1

Dosage Studied

ExcerptRelevanceReference
" The highest tissue (14)C levels in rats were observed in adipose tissue, liver, and kidney with no accumulation observed after repeat dosing up to 7 days."( Disposition and metabolism of cumene in F344 rats and B6C3F1 mice.
Chen, LJ; Dix, KJ; Kramer, DJ; McDonald, JD; Sanders, JM; Thomas, LA; Wegerski, CJ, 2011
)
0.66
" Parametric Bayesian estimation for finding BMDs has grown in popularity, and a large variety of candidate dose-response models is available for applying these methods."( Bayesian model-averaged benchmark dose analysis via reparameterized quantal-response models.
Chen, C; Fang, Q; Li, X; Piegorsch, WW; Simmons, SJ; Wang, Y, 2015
)
0.42
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
alkylbenzeneA monocyclic arene that is benzene substituted with one or more alkyl groups.
[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]

Protein Targets (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency35.48130.003245.467312,589.2998AID2517
GLI family zinc finger 3Homo sapiens (human)Potency31.79430.000714.592883.7951AID1259369
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency74.07350.003041.611522,387.1992AID1159552; AID1159553; AID1159555
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency59.32020.023723.228263.5986AID743222; AID743241
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency79.86360.001723.839378.1014AID743083
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency61.64100.057821.109761.2679AID1159526; AID1159528
potassium voltage-gated channel subfamily H member 2 isoform dHomo sapiens (human)Potency1.58490.01789.637444.6684AID588834
heat shock protein beta-1Homo sapiens (human)Potency58.16070.042027.378961.6448AID743210; AID743228
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID603957Octanol-water partition coefficient, log P of the compound2008European journal of medicinal chemistry, Apr, Volume: 43, Issue:4
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
AID1145576Octanol-water partition coefficient, log P of the compound1976Journal of medicinal chemistry, May, Volume: 19, Issue:5
Partition coefficients and surface areas of some alkylbenzenes.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (103)

TimeframeStudies, This Drug (%)All Drugs %
pre-199026 (25.24)18.7374
1990's16 (15.53)18.2507
2000's31 (30.10)29.6817
2010's27 (26.21)24.3611
2020's3 (2.91)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 81.06

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 Index81.06 (24.57)
Research Supply Index4.74 (2.92)
Research Growth Index4.55 (4.65)
Search Engine Demand Index141.23 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (81.06)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials2 (1.80%)5.53%
Reviews2 (1.80%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other107 (96.40%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]