Page last updated: 2024-12-10

1,3-benzodioxol-5-yl-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]methanone

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

You're describing a chemical compound with a rather complex name. Let's break it down:

* **1,3-benzodioxol-5-yl:** This part refers to a specific organic molecule called **piperonal**. It's a fragrant compound found in natural sources like black pepper and has a characteristic spicy-sweet aroma.
* **[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]methanone:** This part describes a modified imidazole ring, which is a nitrogen-containing heterocyclic compound. The modification includes a phenylmethylthio (benzylthio) group attached at the 2 position. The methanone at the end indicates a carbonyl group (C=O) connected to the imidazole ring.

**Overall, the full name describes a molecule that combines the piperonal structure with a modified imidazole ring.**

**Why is it important for research?**

The compound you described is likely a **synthetic derivative** of piperonal with a modified imidazole ring. This means it was created in a lab, and its structure is designed to have specific properties.

**To understand its research importance, we'd need more context.** Researchers may be interested in this compound for various reasons:

* **Pharmacological activity:** The modification of piperonal might influence its biological activity. This could make it a potential lead compound for developing new drugs, especially in areas related to its natural properties like anti-inflammatory or antimicrobial effects.
* **Structure-activity relationship (SAR) studies:** Scientists might be using this compound as part of a larger study to understand how changes in the molecular structure affect its biological activity. This helps in optimizing compounds for specific applications.
* **Materials science:** The compound could have unique properties that make it suitable for use in materials science, such as conducting polymers or optical materials.

**To provide a more accurate answer, we need additional information:**

* **What specific research field is this compound related to?**
* **What are the researchers' goals and objectives?**
* **What are the compound's known or hypothesized properties?**

With more context, we can understand why this specific compound is important in the research field.

Cross-References

ID SourceID
PubMed CID4338529
CHEMBL ID1370612
CHEBI ID107329

Synonyms (17)

Synonym
EU-0059696
smr000094032
MLS000117078
CHEBI:107329
AB00430946-03
1,3-benzodioxol-5-yl-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
AKOS024588489
HMS2259E17
851863-85-9
F0630-0211
benzo[d][1,3]dioxol-5-yl(2-(benzylthio)-4,5-dihydro-1h-imidazol-1-yl)methanone
CHEMBL1370612
Q27185560
1,3-benzodioxol-5-yl-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]methanone
sr-01000127420
SR-01000127420-1
1-(2h-1,3-benzodioxole-5-carbonyl)-2-(benzylsulfanyl)-4,5-dihydro-1h-imidazole
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
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 Targets (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency11.22020.011212.4002100.0000AID1030
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency11.22020.28189.721235.4813AID2326
P53Homo sapiens (human)Potency10.00000.07319.685831.6228AID504706
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency11.22020.001815.663839.8107AID894
chromobox protein homolog 1Homo sapiens (human)Potency100.00000.006026.168889.1251AID540317
importin subunit beta-1 isoform 1Homo sapiens (human)Potency6.51315.804836.130665.1308AID540253
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)Potency3.54810.00798.23321,122.0200AID2551
lamin isoform A-delta10Homo sapiens (human)Potency10.00000.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
FAD-linked sulfhydryl oxidase ALRHomo sapiens (human)AC50100.00000.00503.212622.7870AID493248
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[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]