Page last updated: 2024-12-09

2-(4-chloro-3-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester

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

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.

Cross-References

ID SourceID
PubMed CID1193356
CHEMBL ID1383475
CHEBI ID105249

Synonyms (11)

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

Drug Classes (1)

ClassDescription
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 Targets (10)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, CruzipainTrypanosoma cruziPotency15.84890.002014.677939.8107AID1476
LuciferasePhotinus pyralis (common eastern firefly)Potency6.74560.007215.758889.3584AID588342
BRCA1Homo sapiens (human)Potency3.54810.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency9.89080.004110.890331.5287AID504466; AID504467
Microtubule-associated protein tauHomo sapiens (human)Potency10.00000.180013.557439.8107AID1460
P53Homo sapiens (human)Potency6.00920.07319.685831.6228AID504706; AID624305
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency2.23870.01262.451825.0177AID485313
ras-related protein Rab-9AHomo sapiens (human)Potency3.54810.00022.621531.4954AID485297
survival motor neuron protein isoform dHomo sapiens (human)Potency12.58930.125912.234435.4813AID1458
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency0.08911.000010.475628.1838AID901
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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
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
[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]