Page last updated: 2024-12-09

2-(4-chloro-2-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

2-(4-chloro-2-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester is a complex organic molecule with a long and rather cumbersome chemical name. To understand its potential importance, let's break it down into its components and consider what these parts might suggest about its properties and possible applications:

**Structure:**

* **2-(4-chloro-2-methylphenoxy)acetic acid:** This part of the molecule is a substituted acetic acid. The phenoxy indicates a phenyl group (a benzene ring) attached to an oxygen atom. The 4-chloro-2-methyl indicates the positions of a chlorine atom and a methyl group on the benzene ring.
* **[4-[(4-methylanilino)-oxomethyl]phenyl] ester:** This part indicates a phenyl group (benzene ring) with a complex substituent attached to it. The 4-[(4-methylanilino)-oxomethyl] suggests the presence of an amine group (NH2) linked to another benzene ring, connected through a carbonyl group (C=O) to the main phenyl ring.

**Potential Properties and Importance:**

This complex molecule could potentially possess a range of interesting properties due to its structural features:

* **Bioactivity:** The presence of both acidic and amine groups suggests possible biological activity, perhaps as a drug or a biological probe. The specific arrangement of these groups might influence interactions with enzymes or receptors, leading to effects on biological processes.
* **Optical Properties:** The extended conjugated system (alternating double and single bonds) within the molecule could lead to interesting optical properties, potentially making it useful as a fluorescent dye or chromophore for optical sensing applications.
* **Chemical Reactivity:** The molecule contains reactive functional groups like the ester and the amine, which could participate in various chemical reactions, making it a potential building block for synthesis of other complex molecules.

**Research Significance:**

Without specific information about the synthesis or testing of this molecule, it's difficult to pinpoint its exact research significance. However, its structure suggests potential for various research areas, such as:

* **Drug Discovery:** The molecule's structure and potential bioactivity could make it a candidate for screening in drug discovery programs targeting various disease pathways.
* **Material Science:** The molecule's optical properties could be investigated for potential applications in optical sensing, bioimaging, or other material science fields.
* **Organic Chemistry:** The molecule could serve as a model for studying complex organic reactions and reaction mechanisms, potentially leading to the development of new synthetic methods.

**Important Note:** It's crucial to remember that simply knowing the structure of a molecule doesn't automatically tell us its exact properties or research significance. Specific experimental studies are needed to determine how this molecule behaves and whether it holds promise for practical applications.

Cross-References

ID SourceID
PubMed CID1193361
CHEMBL ID1485537
CHEBI ID111192

Synonyms (11)

Synonym
AKOS002349806
MLS000578898 ,
4-{[(4-methylphenyl)amino]carbonyl}phenyl (4-chloro-2-methylphenoxy)acetate
smr000198718
OPREA1_508478
CHEBI:111192
HMS2548H15
CHEMBL1485537
2-(4-chloro-2-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
Q27190798
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-chloro-2-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 (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency31.62280.044717.8581100.0000AID485294
Chain A, CruzipainTrypanosoma cruziPotency12.58930.002014.677939.8107AID1476
LuciferasePhotinus pyralis (common eastern firefly)Potency7.56860.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency7.94650.01846.806014.1254AID624172; AID624417
BRCA1Homo sapiens (human)Potency3.16230.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency11.09770.004110.890331.5287AID504466; AID504467
Microtubule-associated protein tauHomo sapiens (human)Potency3.98110.180013.557439.8107AID1460
P53Homo sapiens (human)Potency14.12540.07319.685831.6228AID504706
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.98110.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency9.20000.00419.984825.9290AID504444
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
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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]