Page last updated: 2024-12-09

1-(2-naphthalenyl)hexane-1,4-dione

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

1-(2-Naphthalenyl)hexane-1,4-dione is a **synthetic organic compound** with the following structure:

* **Name:** 1-(2-Naphthalenyl)hexane-1,4-dione
* **Molecular Formula:** C₁₈H₁₈O₂
* **Structure:** A hexane chain with a naphthalene ring attached at one end and two ketone groups on the hexane chain at the 1st and 4th carbon positions.

**Importance in Research:**

While this specific compound doesn't have widespread, well-documented research applications, its structure suggests potential applications in various areas due to the combination of the naphthalene ring and the 1,4-diketone functionality:

* **Organic Synthesis:** The diketone functionality can be utilized for various organic reactions like aldol condensation, Michael addition, and cyclocondensation. This could allow for the synthesis of novel compounds with potential applications in various fields.
* **Materials Science:** The presence of both a π-system (naphthalene) and carbonyl groups makes it potentially suitable for developing new materials with interesting optical, electronic, or magnetic properties.
* **Medicinal Chemistry:** The compound might serve as a scaffold for the design and synthesis of new bioactive molecules with potential applications in drug discovery. For instance, the diketone can act as a binding motif for certain receptors or enzymes.
* **Catalysis:** The naphthalene ring could be modified with functional groups to create catalysts for various chemical reactions.

**However, it's crucial to note that without specific research studies or applications being reported, it's difficult to pinpoint the exact importance of this compound.**

**Further research on this specific compound and its derivatives could lead to new discoveries and applications in different scientific fields.**

Cross-References

ID SourceID
PubMed CID825940
CHEMBL ID1549537
CHEBI ID114672

Synonyms (13)

Synonym
1-naphthalen-2-ylhexane-1,4-dione
1-(2-naphthyl)-1,4-hexanedione
AE-562/12222424
OPREA1_045671
smr000224781
MLS000702652 ,
CHEBI:114672
bdbm63338
1-(2-naphthyl)hexane-1,4-dione
1-(2-naphthalenyl)hexane-1,4-dione
cid_825940
CHEMBL1549537
Q27196076
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
butanoneAny ketone that is butane substituted by an oxo group at unspecified position.
[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 (16)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency28.18385.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency15.10140.007215.758889.3584AID588342
BRCA1Homo sapiens (human)Potency7.07950.89137.722525.1189AID624202
ClpPBacillus subtilisPotency19.95261.995322.673039.8107AID651965
ATAD5 protein, partialHomo sapiens (human)Potency19.47630.004110.890331.5287AID504466; AID504467
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
PINK1Homo sapiens (human)Potency28.18382.818418.895944.6684AID624263
ParkinHomo sapiens (human)Potency28.18380.819914.830644.6684AID624263
P53Homo sapiens (human)Potency56.23410.07319.685831.6228AID504706
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.54810.01262.451825.0177AID485313
chromobox protein homolog 1Homo sapiens (human)Potency63.09570.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency20.59620.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency3.16230.00022.621531.4954AID485297
survival motor neuron protein isoform dHomo sapiens (human)Potency14.12540.125912.234435.4813AID1458
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency35.48130.00419.962528.1838AID2675
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Hsf1 proteinMus musculus (house mouse)EC50 (µMol)195.00000.160024.4900236.5000AID2382
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
[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: 12.56

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

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

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]