Page last updated: 2024-12-11

1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.

Cross-References

ID SourceID
PubMed CID6470323
CHEMBL ID1300411
CHEBI ID116277
SCHEMBL ID12692443

Synonyms (15)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzodioxineAny 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 Targets (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency0.14130.003245.467312,589.2998AID2517
LuciferasePhotinus pyralis (common eastern firefly)Potency0.95280.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency12.58930.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency1.12290.004110.890331.5287AID504466; AID504467
Microtubule-associated protein tauHomo sapiens (human)Potency20.81140.180013.557439.8107AID1460; AID1468
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency0.39810.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency20.59620.00419.984825.9290AID504444
importin subunit beta-1 isoform 1Homo sapiens (human)Potency6.51315.804836.130665.1308AID540253
DNA polymerase betaHomo sapiens (human)Potency79.43280.022421.010289.1251AID485314
ras-related protein Rab-9AHomo sapiens (human)Potency0.10000.00022.621531.4954AID485297
snurportin-1Homo sapiens (human)Potency6.51315.804836.130665.1308AID540253
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency6.51315.804816.996225.9290AID540253
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency15.95410.00798.23321,122.0200AID2546; AID2551
survival motor neuron protein isoform dHomo sapiens (human)Potency2.51190.125912.234435.4813AID1458
[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)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
nuclear factor NF-kappa-B p105 subunit isoform 1Homo sapiens (human)EC50 (µMol)0.11400.05905.559627.2100AID1241
transcription factor p65 isoform 1Homo sapiens (human)EC50 (µMol)0.11400.05905.559627.2100AID1241
Estrogen receptor betaMus musculus (house mouse)EC50 (µMol)0.11400.05905.559627.2100AID1241
Estrogen receptorMus musculus (house mouse)EC50 (µMol)0.11400.05905.559627.2100AID1241
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
[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]