The compound you've described, **1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester**, is a complex organic molecule. It's likely a **synthetic compound**, as its structure suggests a deliberate design with specific functional groups.
**Let's break down its structure:**
* **1-oxo-2-thiophen-2-ylethoxy:** This part refers to a thiophene ring (a 5-membered ring with sulfur) attached to an ethyl group (two carbons) which has a ketone group (C=O) and an ether linkage (C-O-C).
* **(1-oxo-2-thiophen-2-ylethyl)amino:** This is a similar structure to the previous one, but instead of an ether linkage, it has an amine linkage (C-N-C).
* **4-pyrazolecarboxylic acid ethyl ester:** This refers to a pyrazole ring (a 5-membered ring with two nitrogen atoms) with a carboxylic acid group (COOH) at position 4 and an ethyl ester group (COO-ethyl) attached to the carboxylic acid.
**Importance in Research:**
The complexity of this compound suggests it might have been designed for specific research purposes. Without further information, it's difficult to pinpoint its exact significance, but here are some possibilities:
* **Pharmaceutical Research:** The presence of thiophene rings, pyrazole rings, and ketone groups is often associated with **pharmacological activity**. This compound could be a potential drug candidate, perhaps targeting specific biological pathways or receptors.
* **Materials Science:** The molecule might possess interesting properties like **optical activity**, **electrical conductivity**, or **thermal stability** that could be useful in material design.
* **Chemical Synthesis:** The compound could be an intermediate or a reagent used in the synthesis of other important molecules.
**To understand the true importance of this compound, you would need to consider the following:**
* **Who synthesized it:** Was it synthesized by a pharmaceutical company, a materials science lab, or an academic research group?
* **What was the purpose of its synthesis:** Was it designed for a specific target, or was it synthesized to explore a new chemical space?
* **What experimental results were obtained:** Was the compound found to be effective in any biological, material, or synthetic application?
**In summary:** The compound you described is a complex synthetic molecule with potential applications in research, particularly in pharmaceutical or materials science fields. Its specific significance depends on the context of its synthesis and the results obtained from research using it.
ID Source | ID |
---|---|
PubMed CID | 3243119 |
CHEMBL ID | 1308481 |
CHEBI ID | 107792 |
Synonym |
---|
ethyl 1-(2-{[2-(thiophen-2-yl)acetyl]oxy}ethyl)-5-[2-(thiophen-2-yl)acetamido]-1h-pyrazole-4-carboxylate |
AKOS001810522 |
MLS001367526 |
ethyl 5-[(thien-2-ylacetyl)amino]-1-{2-[(thien-2-ylacetyl)oxy]ethyl}-1h-pyrazole-4-carboxylate |
smr000028655 |
MLS000093019 , |
CHEBI:107792 |
ethyl 5-[(2-thiophen-2-ylacetyl)amino]-1-[2-(2-thiophen-2-ylacetyl)oxyethyl]pyrazole-4-carboxylate |
HMS2453M17 |
CHEMBL1308481 |
Q27186126 |
1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester |
Class | Description |
---|---|
pyrazoles | |
[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, Beta-lactamase | Escherichia coli K-12 | Potency | 2.5119 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
Smad3 | Homo sapiens (human) | Potency | 5.6234 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 15.8489 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
geminin | Homo sapiens (human) | Potency | 17.7828 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |