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.
ID Source | ID |
---|---|
PubMed CID | 1193358 |
CHEMBL ID | 1339563 |
CHEBI ID | 122150 |
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 |
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 | 12.5893 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 7.5686 | 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 | 12.7800 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 27.5110 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
P53 | Homo sapiens (human) | Potency | 8.9125 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 2.8184 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 12.9953 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 2.8184 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 3.1623 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 25.1189 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
prothrombin | Homo sapiens (human) | IC50 (µMol) | 0.5956 | 0.0010 | 3.3170 | 14.6895 | AID1215 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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 | |||
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. |
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. |
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. |
[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] |