The chemical name you provided, **2-(4-chloro-3-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester**, is a mouthful and describes a complex organic molecule.
**Here's a breakdown of its structure and potential significance:**
* **2-(4-chloro-3-methylphenoxy)acetic acid:** This part refers to a molecule that contains a phenoxy group (an aromatic ring with an oxygen attached) with chlorine and methyl substitutions at specific positions, connected to an acetic acid (CH3COOH) unit.
* **[4-[(4-methylanilino)-oxomethyl]phenyl] ester:** This part indicates that the acetic acid is linked through an ester bond to a phenyl ring (benzene ring) with a substituted group at the 4th position. This group contains a 4-methylanilino moiety, meaning aniline (NH2-C6H5) with a methyl group on the nitrogen, connected to a carbonyl (C=O) group.
**Why is it important for research?**
While there's no readily available information on the specific compound you mentioned, its structure hints at potential applications in research:
* **Pharmacology:** The molecule incorporates several features frequently seen in drug molecules: aromatic rings, heteroatoms (oxygen and nitrogen), and functional groups like carboxyl (COOH) and amine (NH2). This combination suggests the molecule might exhibit biological activity and could be investigated for potential therapeutic properties.
* **Materials Science:** The presence of both acidic and aromatic groups might contribute to the molecule's ability to interact with other molecules and materials. This makes it a potential candidate for developing new polymers, coatings, or other functional materials.
* **Chemical Synthesis:** The molecule itself might be a useful intermediate in the synthesis of other more complex molecules. This is common in organic chemistry, where smaller, well-understood molecules are used as building blocks for larger, more elaborate structures.
**To truly understand the importance of this specific compound, more information is needed:**
* **What is its synthesis route?** Knowing how it's made can provide insights into its properties and potential applications.
* **What are its physical and chemical properties?** Solubility, melting point, and reactivity are crucial for understanding its behavior and potential uses.
* **What are its biological activities?** Does it interact with specific enzymes, receptors, or cells? This is crucial for assessing its potential for drug development or other biological applications.
**In summary, while the specific compound you mentioned might not be widely studied yet, its structure suggests potential applications in various research fields.** Further investigation is needed to fully understand its significance and potential benefits.
ID Source | ID |
---|---|
PubMed CID | 1193356 |
CHEMBL ID | 1383475 |
CHEBI ID | 105249 |
Synonym |
---|
HMS2581C07 |
smr000198709 |
MLS000578995 |
4-{[(4-methylphenyl)amino]carbonyl}phenyl (4-chloro-3-methylphenoxy)acetate |
OPREA1_812350 |
CHEBI:105249 |
AKOS002251042 |
CHEMBL1383475 |
Q27182959 |
2-(4-chloro-3-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester |
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-chloro-3-methylphenoxy)acetate |
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) |
---|---|---|---|---|---|---|---|
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 15.8489 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 6.7456 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
BRCA1 | Homo sapiens (human) | Potency | 3.5481 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 9.8908 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 10.0000 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
P53 | Homo sapiens (human) | Potency | 6.0092 | 0.0731 | 9.6858 | 31.6228 | AID504706; AID624305 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 2.2387 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.5481 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 12.5893 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 0.0891 | 1.0000 | 10.4756 | 28.1838 | AID901 |
[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. |
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 | |||
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 | |||
[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] |