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.
ID Source | ID |
---|---|
PubMed CID | 3235924 |
CHEMBL ID | 1423539 |
CHEBI ID | 114327 |
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 |
Class | Description |
---|---|
pyrroles | An 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
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 | 6.3096 | 0.0013 | 18.0743 | 39.8107 | AID926 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 79.4328 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0018 | 15.6638 | 39.8107 | AID894 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 6.3096 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 0.0355 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & 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. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase 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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
[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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |