Page last updated: 2024-12-10

2-(3-ethoxycarbonyl-2-methyl-5-phenyl-1-pyrrolyl)acetic acid

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

You're describing a compound that is likely a derivative of **pyrrole**, a heterocyclic aromatic compound with a five-membered ring containing one nitrogen atom.

**Here's a breakdown of the structure:**

* **2-(3-ethoxycarbonyl-2-methyl-5-phenyl-1-pyrrolyl)acetic acid**

* **Pyrrole core:** The backbone of the molecule is a pyrrole ring.
* **Substitutions:**
* **3-ethoxycarbonyl:** An ethyl ester group (CH3CH2OC(=O)-) is attached to the 3rd carbon atom of the pyrrole ring.
* **2-methyl:** A methyl group (CH3-) is attached to the 2nd carbon atom of the pyrrole ring.
* **5-phenyl:** A phenyl group (C6H5-) is attached to the 5th carbon atom of the pyrrole ring.
* **1-pyrrolyl:** Indicates that the pyrrole ring is substituted at the nitrogen atom.
* **acetic acid:** An acetic acid group (-CH2COOH) is attached to the 2nd position of the pyrrole ring.

**Why is it important for research?**

It's difficult to state the exact importance of this specific compound without further context. However, pyrrole derivatives are generally important in research because:

* **Biological Activity:** Many pyrrole derivatives exhibit biological activity, including:
* **Antibacterial:** They can inhibit bacterial growth.
* **Anti-cancer:** They can have cytotoxic effects on cancer cells.
* **Anti-inflammatory:** They can reduce inflammation.
* **Pharmaceutical Applications:** Pyrrole derivatives are often used in the development of pharmaceuticals and medicinal chemistry.
* **Organic Synthesis:** They are versatile building blocks in organic synthesis and can be used to create a wide variety of other compounds.

**To understand the specific importance of this particular compound, you would need more information about its:**

* **Synthesis:** How was it made?
* **Properties:** What are its physical and chemical properties?
* **Biological Activity:** Does it show any specific biological activity?
* **Applications:** What is it used for?

**To find out more, you could try:**

* **Searching online databases:** Look for this compound on databases like PubChem or SciFinder.
* **Consulting scientific literature:** Search for articles that mention this compound or similar pyrrole derivatives.

Let me know if you have any more information about this compound or what you are specifically interested in, and I can help you find more information.

Cross-References

ID SourceID
PubMed CID3235924
CHEMBL ID1423539
CHEBI ID114327

Synonyms (21)

Synonym
CHEMDIV3_014366
[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1h-pyrrol-1-yl]acetic acid
smr000033629
MLS000047618 ,
IDI1_030164
CHEBI:114327
AKOS000266720
2-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)acetic acid
HMS1513M22
1h-pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
679797-47-8
HMS2289P07 ,
CHEMBL1423539
DTXSID50390509
Q27195726
2-(3-ethoxycarbonyl-2-methyl-5-phenyl-1-pyrrolyl)acetic acid
2-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1h-pyrrol-1-yl]acetic acid
SR-01000147444-1
sr-01000147444
2-(3-(ethoxycarbonyl)-2-methyl-5-phenyl-1h-pyrrol-1-yl)acetic acid
CS-0364435
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
pyrrolesAn azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton.
[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 (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency25.11890.011212.4002100.0000AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency6.30960.001318.074339.8107AID926
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency79.43280.707936.904389.1251AID504333
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency25.11890.001815.663839.8107AID894
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency6.30960.00798.23321,122.0200AID2551
survival motor neuron protein isoform dHomo sapiens (human)Potency0.03550.125912.234435.4813AID1458
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay IDTitleYearJournalArticle
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase 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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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 Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]