1-(3-pyridinylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is a chemical compound with a complex structure. It is not a widely known or researched compound, and there's limited information available about its specific properties and potential applications.
**Here's a breakdown of its structure and potential significance:**
* **Structure:** The compound consists of a urea backbone with two substituents:
* **3-Pyridinylmethyl:** This group is derived from pyridine, a heterocyclic aromatic compound, with a methyl group attached to the third position of the pyridine ring.
* **2-(Trifluoromethyl)-1,3-benzodioxol-2-yl:** This group is derived from benzodioxole, a bicyclic aromatic compound with a trifluoromethyl group attached to the second position.
* **Potential Importance:** The compound's structure suggests it could possess interesting pharmacological properties. The presence of pyridine, a common pharmacophore found in many drugs, and the trifluoromethyl group, often used in medicinal chemistry to enhance drug properties, could contribute to biological activity.
**However, without further research and experimentation, it's impossible to determine its precise effects or applications.**
**To understand the compound's importance for research, we need to consider:**
* **Its biological activity:** Does it interact with specific receptors or enzymes? Does it have any therapeutic potential?
* **Its physical and chemical properties:** What are its solubility, stability, and other properties relevant to its potential applications?
* **Its synthesis and characterization:** How can it be prepared and purified? What techniques can be used to analyze its structure and properties?
**Research on this compound could potentially lead to discoveries in areas such as:**
* **Medicinal chemistry:** Identifying new drug candidates for various diseases.
* **Material science:** Developing new materials with unique properties.
* **Agricultural chemistry:** Exploring its potential as a pesticide or herbicide.
**In conclusion,** 1-(3-pyridinylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is a potentially interesting compound with a complex structure that warrants further investigation. Its importance for research will depend on the results of future studies exploring its properties and potential applications.
ID Source | ID |
---|---|
PubMed CID | 756407 |
CHEMBL ID | 1407885 |
CHEBI ID | 121728 |
Synonym |
---|
MLS000044265 |
smr000022049 |
n-(pyridin-3-ylmethyl)-n'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea |
MLS001367968 |
CHEBI:121728 |
1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea |
AKOS001751216 |
HMS2361N03 |
CHEMBL1407885 |
1-(3-pyridinylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea |
Q27210296 |
SR-01000549519-1 |
sr-01000549519 |
Z57269010 |
Class | Description |
---|---|
benzodioxoles | |
[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, HADH2 protein | Homo sapiens (human) | Potency | 25.7877 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 25.7877 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Nrf2 | Homo sapiens (human) | Potency | 12.5893 | 0.0920 | 8.2222 | 23.1093 | AID624171 |
TDP1 protein | Homo sapiens (human) | Potency | 15.4706 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
67.9K protein | Vaccinia virus | Potency | 10.0000 | 0.0001 | 8.4406 | 100.0000 | AID720579 |
alpha-galactosidase | Homo sapiens (human) | Potency | 35.4813 | 4.4668 | 18.3916 | 35.4813 | AID2107 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 24.9271 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 6.5131 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 22.7407 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
geminin | Homo sapiens (human) | Potency | 9.2000 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 15.8489 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 2.8184 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 0.1585 | 1.0000 | 10.4756 | 28.1838 | AID901 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
protein binding | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
extracellular region | Glycoprotein hormones alpha chain | Homo sapiens (human) |
extracellular space | Glycoprotein hormones alpha chain | Homo sapiens (human) |
Golgi lumen | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone complex | Glycoprotein hormones alpha chain | Homo sapiens (human) |
pituitary gonadotropin complex | Glycoprotein hormones alpha chain | Homo sapiens (human) |
extracellular space | Glycoprotein hormones alpha chain | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
[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 (14.29) | 29.6817 |
2010's | 4 (57.14) | 24.3611 |
2020's | 2 (28.57) | 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 (12.22) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |