Page last updated: 2024-12-09

1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea

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

1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea is a chemical compound, often referred to as a **thiourea derivative**. While it's not a widely known or studied compound, it's important to understand why it *could* be of interest to researchers.

Here's a breakdown:

**Structure and Properties:**

* **Thiourea:** This is the core functional group, containing a sulfur atom double-bonded to a nitrogen atom. Thioureas have versatile properties, including:
* **Hydrogen bond donors and acceptors:** This allows them to interact with biological systems like proteins and nucleic acids.
* **Potential for medicinal applications:** They've been explored as anti-inflammatory, antibacterial, and antifungal agents.
* **Benzodioxole:** This ring system is common in natural products and pharmaceuticals. It's often associated with activity in areas like:
* **Neurology:** Some benzodioxole derivatives are known to have effects on the nervous system.
* **Pharmacology:** It's a structural motif found in drugs like the antidepressant bupropion.
* **Substituents:** The specific substituents (methyl and chloro) on the phenyl ring might influence the compound's properties and potential applications.

**Why it Could Be Important for Research:**

* **Biological activity:** The combination of thiourea, benzodioxole, and the substituents on the phenyl ring suggest the possibility of interesting biological activity.
* **Drug discovery:** This compound could be a starting point for developing new drugs with potential applications in areas like:
* **Neurological disorders:** The benzodioxole moiety might give it activity in the brain.
* **Infectious diseases:** Thioureas often exhibit antimicrobial properties.
* **Cancer therapy:** Some thiourea derivatives show promising anti-cancer activity.
* **Material science:** Thiourea derivatives are known to have interesting properties like:
* **Non-linear optical effects:** Potential applications in optoelectronic devices.
* **Coordination chemistry:** Ability to bind to metals and form complexes.

**It's Crucial to Note:**

* **Limited information:** The specific compound mentioned is not widely documented in scientific literature. This means there is limited information about its exact properties and potential applications.
* **Further research:** To determine the true importance of this compound for research, further investigation is needed. This would include:
* **Synthesis and characterization:** Developing methods to prepare the compound in a laboratory.
* **Biological assays:** Testing its effects on various biological systems.
* **Computational modeling:** Using computer simulations to predict its potential properties.

**In conclusion:** While 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea is not currently a well-known compound, its structure suggests potential for research into areas like drug discovery and material science. Further investigation is required to determine its true value.

Cross-References

ID SourceID
PubMed CID800363
CHEMBL ID1549669
CHEBI ID107220

Synonyms (11)

Synonym
n-(1,3-benzodioxol-5-ylmethyl)-n'-(3-chloro-2-methylphenyl)thiourea
MLS000677040
smr000270864
STK025728
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea
CHEBI:107220
AKOS002319277
HMS2556G05
AB00003658-01
CHEMBL1549669
Q27185322
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
thioureasCompounds of general formula RR'NC(=S)NR''R'''.
[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 (5)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
polyunsaturated fatty acid lipoxygenase ALOX12Homo sapiens (human)Potency31.62281.000012.232631.6228AID1452
importin subunit beta-1 isoform 1Homo sapiens (human)Potency44.66845.804836.130665.1308AID540263
snurportin-1Homo sapiens (human)Potency44.66845.804836.130665.1308AID540263
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency9.14980.00798.23321,122.0200AID2546; AID2551
Guanine nucleotide-binding protein GHomo sapiens (human)Potency1.00001.995325.532750.1187AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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.
[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]