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.**
ID Source | ID |
---|---|
PubMed CID | 825940 |
CHEMBL ID | 1549537 |
CHEBI ID | 114672 |
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 |
Class | Description |
---|---|
butanone | Any 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 28.1838 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 15.1014 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
BRCA1 | Homo sapiens (human) | Potency | 7.0795 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ClpP | Bacillus subtilis | Potency | 19.9526 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 19.4763 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
PINK1 | Homo sapiens (human) | Potency | 28.1838 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
Parkin | Homo sapiens (human) | Potency | 28.1838 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
P53 | Homo sapiens (human) | Potency | 56.2341 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 3.5481 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 63.0957 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.1623 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 14.1254 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 35.4813 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Hsf1 protein | Mus musculus (house mouse) | EC50 (µMol) | 195.0000 | 0.1600 | 24.4900 | 236.5000 | AID2382 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, 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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.56) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |