That's a mouthful! Let's break down this compound and its potential importance in research:
**Understanding the Chemical Structure:**
* **1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-piperidinecarboxylic acid ethyl ester** is a long chemical name, but it describes a specific molecule with a complex structure. Here's a breakdown of its main components:
* **1,4-benzodioxin:** This is a ring structure containing a benzene ring fused with a dioxane ring. The '2,3-dihydro' part means there are two hydrogen atoms added to the dioxane ring.
* **6-ylamino:** This indicates an amine group (-NH2) attached to the sixth carbon of the benzodioxin ring.
* **2-oxo-1-phenylethyl:** This describes a phenyl (benzene ring) group attached to a carbonyl group (C=O) and a methylene group (CH2).
* **4-piperidinecarboxylic acid ethyl ester:** This refers to a piperidine ring (six-membered ring with nitrogen) with a carboxylic acid group (-COOH) attached at the fourth carbon and an ethyl ester group (-COOC2H5) attached to the carboxylic acid.
**Why It Might Be Important for Research:**
The specific structure of this compound suggests it might be a potential candidate for pharmaceutical research, especially in areas like:
* **Anti-inflammatory agents:** The presence of the benzodioxin ring is often associated with anti-inflammatory activity. This is because benzodioxins can interact with various enzymes and signaling pathways involved in inflammation.
* **Pain management:** The piperidine ring is a common feature in pain medications, and the carboxylic acid group can contribute to the molecule's ability to interact with pain receptors.
* **Targeting specific receptors:** The complex structure might be designed to interact with specific receptors in the body. This targeted approach could lead to drugs with fewer side effects and improved efficacy.
**Important Considerations:**
* **No specific data:** Without further information, it's impossible to know if this compound has been specifically researched or tested.
* **Synthetic compound:** The complexity of the molecule suggests it's likely a synthetic compound, meaning it doesn't naturally occur in the body. This would require careful studies on its safety and efficacy before it could be considered for use in humans.
**Research Process:**
If this compound is of interest for research, the following steps would likely be involved:
1. **Synthesis:** Developing efficient methods to produce the compound in a laboratory setting.
2. **In vitro studies:** Testing the compound's activity in cell cultures to evaluate its potential effects on specific biological targets.
3. **In vivo studies:** Testing the compound in animal models to assess its efficacy, safety, and pharmacokinetic properties.
4. **Clinical trials:** If promising results are obtained in preclinical studies, clinical trials in human volunteers would be needed to further evaluate the compound's safety, efficacy, and optimal dosage.
**In summary,** this compound's structure hints at potential medicinal applications, but further research is needed to determine its true significance and therapeutic value.
ID Source | ID |
---|---|
PubMed CID | 3240212 |
CHEMBL ID | 1578060 |
CHEBI ID | 114525 |
Synonym |
---|
ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate |
MLS000086414 |
smr000021916 |
CHEBI:114525 |
AKOS001777815 |
HMS2324F12 |
CHEMBL1578060 |
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-piperidinecarboxylic acid ethyl ester |
Q27195928 |
SR-01000548618-1 |
sr-01000548618 |
Class | Description |
---|---|
amino acid amide | An amide of an amino acid formed formally by conversion of the carboxy group to a carboxamido group. |
[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) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 10.0000 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 25.1189 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 12.5893 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 89.1251 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
[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 | |||
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 | |||
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. |
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. |
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] |
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] |