The compound you described, 2-(4-methoxyphenyl)acetic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester, is a complex organic molecule with a long and somewhat confusing name. To understand its potential importance for research, let's break down its structure and potential properties:
**Structure:**
* **2-(4-methoxyphenyl)acetic acid:** This is a simple aromatic acid with a methoxy group (-OCH3) attached to the phenyl ring. It's also known as 4-methoxyphenylacetic acid.
* **[2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester:** This is a more complex part of the molecule. It contains an ester linkage (COO) connecting the 2-(4-methoxyphenyl)acetic acid to a long chain with two aniline groups (NH2) and an ethoxy group (-OCH2CH3).
**Potential Properties:**
Given the structure, this compound could exhibit a variety of properties, potentially making it useful for different areas of research:
* **Biological activity:** The presence of multiple aromatic rings, aniline groups, and an ester linkage suggests potential for interaction with biological systems. This molecule might be a candidate for:
* **Drug development:** It could act as a **ligand** binding to specific proteins or enzymes, potentially impacting their function and offering therapeutic applications.
* **Agricultural research:** It could be explored as a **herbicide, pesticide, or fungicide** due to its potential to disrupt key biological processes in unwanted organisms.
* **Materials science:** The presence of aromatic rings and multiple functional groups could lend itself to:
* **Polymers and coatings:** The molecule could be used as a **monomer** for building polymers with unique properties, potentially impacting their strength, flexibility, and conductivity.
* **Organic electronics:** The aromatic structure and potential for electron transfer could make it useful for **organic solar cells, light-emitting diodes (OLEDs), or organic field-effect transistors**.
**Importance in Research:**
The actual importance of this compound in research depends on its specific properties and how they are explored. However, the complexity of its structure and the presence of functional groups that can interact with biological systems and materials suggest its potential as a lead compound for research in various fields.
**To determine its actual importance, further research is required, including:**
* **Synthesis:** The compound needs to be synthesized and purified for characterization.
* **Characterization:** Its physical and chemical properties need to be determined (melting point, solubility, spectroscopy data).
* **Biological testing:** Its interactions with cells, enzymes, and biological systems need to be studied to assess its potential for drug development or agricultural applications.
* **Materials science testing:** Its properties as a monomer, polymer, or material for organic electronics need to be explored.
The process of exploring this compound could lead to valuable discoveries in various fields, highlighting the importance of its initial investigation.
ID Source | ID |
---|---|
PubMed CID | 3650776 |
CHEMBL ID | 1454617 |
CHEBI ID | 114271 |
Synonym |
---|
HMS2641M11 |
MLS000335198 |
smr000249956 |
CHEBI:114271 |
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate |
CHEMBL1454617 |
2-(4-methoxyphenyl)acetic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester |
Q27195668 |
Z18360342 |
AKOS033611762 |
Class | Description |
---|---|
benzamides | |
[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 | 5.6234 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
BRCA1 | Homo sapiens (human) | Potency | 4.4668 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 21.1360 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 70.7946 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 3.5481 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
DNA polymerase beta | Homo sapiens (human) | Potency | 0.3162 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 2.5119 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
geminin | Homo sapiens (human) | Potency | 1.1582 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 11.2202 | 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 |
---|---|---|---|---|
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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 (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] |