1-hydroxy-4-oxahomoadamantan-5-one
1-hydroxy-4-oxahomoadamantan-5-one is a **synthetic organic compound** with the following key features:
* **Structure:** It contains a **fused bicyclic ring system** resembling adamantane (a diamond-shaped molecule) with an oxygen atom replacing a carbon atom in the ring. It also features a hydroxyl group (OH) and a ketone group (C=O).
* **Synthesis:** This compound is not found naturally and needs to be **synthesized in the laboratory**. Its synthesis is typically based on multi-step reactions involving organic chemistry techniques.
**Why is it important for research?**
The importance of 1-hydroxy-4-oxahomoadamantan-5-one lies in its potential applications in various research areas, including:
* **Medicinal chemistry:** The unique structural features of this compound make it a potential candidate for **drug development**. Its rigid structure could be used to develop molecules that bind specifically to biological targets, potentially leading to new therapies for diseases.
* **Material science:** Its rigid structure and potential for functionalization make it a potential building block for **advanced materials**. For example, it could be incorporated into polymers to impart specific properties like strength, rigidity, or thermal stability.
* **Organic synthesis:** This compound can serve as a versatile **starting material for the synthesis of other complex molecules**. Its unique structural features could be exploited to create new synthetic pathways.
**Current Research:**
Current research on 1-hydroxy-4-oxahomoadamantan-5-one is mainly focused on:
* **Developing efficient synthetic routes** for its production.
* **Exploring its pharmacological activity** to determine its potential as a drug candidate.
* **Investigating its applications in materials science** for the development of new materials with desired properties.
**Overall, 1-hydroxy-4-oxahomoadamantan-5-one is a promising compound with potential applications in various fields. Continued research on this molecule will likely uncover new insights and applications in the future.**
Cross-References
| ID Source | ID |
|---|---|
| PubMed CID | 3239817 |
| CHEMBL ID | 1742315 |
| CHEBI ID | 19051 |
| SCHEMBL ID | 5191526 |
Synonyms (13)
| Synonym |
|---|
| 1-hydroxy-4-oxatricyclo[4.3.1.1(3,8)]undecan-5-one |
| CHEBI:19051 , |
| 1-hydroxy-4-oxahomoadamantan-5-one |
| 1-hydroxy-4-oxatricyclo[4.3.1.1~3,8~]undecan-5-one |
| MLS000043044 |
| smr000019471 |
| EU-0013447 |
| HMS2388C17 |
| SCHEMBL5191526 |
| 1-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one |
| IYOCRSOAYQUGEF-UHFFFAOYSA-N |
| CHEMBL1742315 |
| Q27109105 |
Drug Classes (1)
| Class | Description |
|---|---|
| epsilon-lactone | Any lactone with a seven-membered 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] | |
Protein Targets (3)
Potency Measurements
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 1.0000 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
| TDP1 protein | Homo sapiens (human) | Potency | 4.1095 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
| serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 9.4662 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Bioassays (13)
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
Research
Studies (5)
| 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] | ||
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.
| This Compound (12.56) All Compounds (24.57) |
Study Types
| 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] | ||