1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea is a synthetic compound with a complex chemical structure. While the exact purpose and importance of this specific compound are not readily available in public databases, we can deduce its potential significance based on its structure and related compounds.
**Structure Analysis:**
* **Urea moiety:** The central urea group (NH-CO-NH) is a common functional group in many drugs and biological molecules. It can participate in hydrogen bonding, which plays a crucial role in interactions with biomolecules.
* **Methoxyphenyl group:** The presence of a methoxy group (OCH3) attached to a phenyl ring suggests potential for interactions with biological targets due to its hydrophobic and electron-donating properties.
* **Benzoxazole ring:** Benzoxazole rings are often found in compounds with pharmacological activity, particularly those targeting the central nervous system. The methyl group on the benzoxazole ring could modulate its activity or enhance its solubility.
**Potential Importance for Research:**
Given its structure, 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea might be investigated for:
* **Pharmacological activity:** The compound could potentially exhibit biological activity due to its structural features. This could be explored in various areas like:
* **Antimicrobial activity:** Many compounds with benzoxazole rings exhibit antimicrobial activity against bacteria and fungi.
* **Anti-inflammatory activity:** The compound might interact with inflammatory pathways.
* **Neuroprotective effects:** Benzoxazole derivatives have been shown to possess neuroprotective properties.
* **Chemical probes:** The compound could serve as a chemical probe to study the interactions of other molecules with specific proteins or enzymes.
* **Materials science:** The compound's structure might allow for the synthesis of polymers or other materials with unique properties.
**Note:** It is crucial to understand that the information provided above is based on general knowledge and analysis of the compound's structure. To know the exact importance and specific research areas where this compound is being studied, one needs to consult specialized scientific databases and literature on specific research projects.
ID Source | ID |
---|---|
PubMed CID | 894044 |
CHEMBL ID | 1569574 |
CHEBI ID | 121694 |
Synonym |
---|
HMS2589J04 |
MLS000708699 , |
smr000289266 |
AH-487/41957482 |
n-(4-methoxyphenyl)-n'-(2-methyl-1,3-benzoxazol-5-yl)urea |
CHEBI:121694 |
AKOS000603012 |
1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea |
CHEMBL1569574 |
bdbm60140 |
cid_894044 |
Q27210259 |
Class | Description |
---|---|
ureas | |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 0.1995 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 11.9955 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
BRCA1 | Homo sapiens (human) | Potency | 2.8184 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 17.3512 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 50.1187 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 5.8048 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.5481 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 7.9433 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[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) |
---|---|---|---|---|---|---|---|
M17 leucyl aminopeptidase | Plasmodium falciparum 3D7 | IC50 (µMol) | 14.8100 | 1.0000 | 27.8360 | 138.0800 | AID1619 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
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] |