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1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester

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

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.

Cross-References

ID SourceID
PubMed CID3243119
CHEMBL ID1308481
CHEBI ID107792

Synonyms (12)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
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 Targets (4)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency2.51190.044717.8581100.0000AID485341
Smad3Homo sapiens (human)Potency5.62340.00527.809829.0929AID588855
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency15.84890.00798.23321,122.0200AID2551
gemininHomo sapiens (human)Potency17.78280.004611.374133.4983AID624296
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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]