Page last updated: 2024-12-09

2-(3-chlorophenoxy)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

You are describing a complex organic molecule with a rather long chemical name. While it's a mouthful, the structure of this compound is quite interesting and has relevance in certain research areas. Let's break it down:

**Structure and Composition:**

* **2-(3-chlorophenoxy)acetic acid:** This part is a commonly used herbicide, known commercially as MCPA. It consists of an acetic acid molecule with a 3-chlorophenoxy group attached.
* **[4-[(4-methylanilino)-oxomethyl]phenyl] ester:** This part describes the other half of the molecule. It is an ester formed from a phenyl group with a 4-methylanilino group attached to a ketone group. The whole structure then acts as an esterifying group to the acetic acid portion.

**Why it's important for research:**

The compound you described is likely **not** a commonly studied or known molecule. However, the components of it suggest potential research interest. Here's why:

* **Herbicide Activity:** MCPA is a known herbicide, so the molecule you described could be investigated for its potential herbicidal properties. This might be of interest in developing new, more efficient, or environmentally friendly herbicides.
* **Pharmacological Activity:** The 4-methylanilino group is frequently found in drugs with various pharmacological activities. The molecule could be explored for potential therapeutic applications, such as anti-inflammatory or analgesic effects.
* **Organic Synthesis:** The combination of different functional groups in this molecule makes it a potential building block for synthesizing more complex and diverse compounds. This can be valuable for research in developing new materials or pharmaceuticals.

**Important Note:** The molecule you described is not a well-established or commonly used compound. If you are interested in researching this molecule further, it would be best to consult with a chemist or chemical researcher. They can provide you with more detailed information about its potential properties and applications.

**Further research:**

To learn more about this compound, you can:

* **Search for its IUPAC name or CAS number:** This can help you find relevant publications or databases.
* **Consult chemical databases:** Databases like PubChem or ChemSpider can provide information on the compound's properties and potential activities.
* **Contact a chemistry research group:** Reach out to a university or research institute specializing in organic chemistry or drug discovery.

Remember, while the molecule itself might not be widely studied, the components and their potential combinations are worth exploring for various research applications.

Cross-References

ID SourceID
PubMed CID1193358
CHEMBL ID1339563
CHEBI ID122150

Synonyms (17)

Synonym
MLS000579004 ,
smr000198796
4-{[(4-methylphenyl)amino]carbonyl}phenyl (3-chlorophenoxy)acetate
OPREA1_706611
CHEBI:122150
AKOS002243361
HMS2551M17
STL455666
4-[(4-methylphenyl)carbamoyl]phenyl (3-chlorophenoxy)acetate
CHEMBL1339563
cid_1193358
2-(3-chlorophenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
bdbm33740
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-chlorophenoxy)acetate
2-(3-chlorophenoxy)acetic acid [4-(p-tolylcarbamoyl)phenyl] ester
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-chloranylphenoxy)ethanoate
Q27210794
[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, CruzipainTrypanosoma cruziPotency12.58930.002014.677939.8107AID1476
LuciferasePhotinus pyralis (common eastern firefly)Potency7.56860.007215.758889.3584AID588342
BRCA1Homo sapiens (human)Potency3.54810.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency12.78000.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency27.51100.000811.382244.6684AID686978; AID686979
P53Homo sapiens (human)Potency8.91250.07319.685831.6228AID504706
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency2.81840.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency12.99530.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency2.81840.00022.621531.4954AID485297
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency3.16230.00798.23321,122.0200AID2546
survival motor neuron protein isoform dHomo sapiens (human)Potency25.11890.125912.234435.4813AID1458
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
prothrombinHomo sapiens (human)IC50 (µMol)0.59560.00103.317014.6895AID1215
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
[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]