The compound you're asking about is **1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea**. This is a complex organic molecule with the following structural features:
* **Two benzodioxole rings:** These rings are aromatic structures containing an oxygen atom within the ring. The 1,3-benzodioxole ring is found in various natural products and has been explored for its pharmacological properties.
* **A dihydrobenzodioxin ring:** This is a six-membered ring containing two oxygen atoms and two saturated carbon atoms. The 2,3-dihydro-1,4-benzodioxin ring is also found in various natural products and has potential applications in medicinal chemistry.
* **A urea group:** This is a functional group with the formula NH2-CO-NH2. Urea groups are known for their hydrogen bonding capabilities, which can play a role in drug interactions and receptor binding.
**Why is this compound important for research?**
This compound, likely synthesized in a laboratory, is likely being investigated for its potential **pharmacological properties**. Here's why it might be important:
* **Structure-Activity Relationship Studies:** By studying the effects of different chemical modifications on the molecule's structure and its biological activity, researchers can identify crucial aspects of the molecule's structure that contribute to its interaction with biological targets.
* **Drug Discovery:** This compound could be a lead compound for a new drug. The benzodioxole and dihydrobenzodioxin rings are associated with a range of biological activities, including antifungal, antibacterial, anti-inflammatory, and anti-cancer properties. Researchers are actively investigating the potential of these structures for drug development.
* **Mechanism of Action Studies:** Understanding how the compound interacts with its target molecule (e.g., an enzyme, receptor) is crucial for determining its therapeutic potential.
* **Drug Optimization:** Synthesizing and testing different analogs (similar compounds with slight structural variations) of this molecule could lead to improved drug efficacy, safety, and pharmacokinetic properties.
**It's important to note:**
* Without additional information about the research project, it's impossible to definitively state why this specific compound is being studied.
* The potential therapeutic properties of this compound are still under investigation.
If you're interested in learning more, you could search for research publications on this specific compound or related compounds. You can also contact the researchers who have synthesized or studied this compound.
ID Source | ID |
---|---|
PubMed CID | 6470323 |
CHEMBL ID | 1300411 |
CHEBI ID | 116277 |
SCHEMBL ID | 12692443 |
Synonym |
---|
HMS2613K09 |
n-1,3-benzodioxol-5-yl-n'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea |
smr000297821 |
MLS000679554 , |
STK478544 |
1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea |
CHEBI:116277 |
AKOS001437057 |
CHEMBL1300411 |
SCHEMBL12692443 |
cid_6470323 |
bdbm49777 |
Q27199136 |
Z195684838 |
n-(1,3-benzodioxol-5-yl)-n'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea |
Class | Description |
---|---|
benzodioxine | Any organic heterobicyclic compound containing ortho-fused benzene and dioxine rings. |
[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 | 0.1413 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 0.9528 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 12.5893 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 1.1229 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 20.8114 | 0.1800 | 13.5574 | 39.8107 | AID1460; AID1468 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 0.3981 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 6.5131 | 5.8048 | 36.1306 | 65.1308 | AID540253 |
DNA polymerase beta | Homo sapiens (human) | Potency | 79.4328 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 0.1000 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
snurportin-1 | Homo sapiens (human) | Potency | 6.5131 | 5.8048 | 36.1306 | 65.1308 | AID540253 |
GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 6.5131 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 15.9541 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 2.5119 | 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) |
---|---|---|---|---|---|---|---|
[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) |
---|---|---|---|---|---|---|---|
nuclear factor NF-kappa-B p105 subunit isoform 1 | Homo sapiens (human) | EC50 (µMol) | 0.1140 | 0.0590 | 5.5596 | 27.2100 | AID1241 |
transcription factor p65 isoform 1 | Homo sapiens (human) | EC50 (µMol) | 0.1140 | 0.0590 | 5.5596 | 27.2100 | AID1241 |
Estrogen receptor beta | Mus musculus (house mouse) | EC50 (µMol) | 0.1140 | 0.0590 | 5.5596 | 27.2100 | AID1241 |
Estrogen receptor | Mus musculus (house mouse) | EC50 (µMol) | 0.1140 | 0.0590 | 5.5596 | 27.2100 | AID1241 |
[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. |
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. |
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 | |||
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |