Page last updated: 2024-12-08

1-(4-methyl-1,3-benzothiazol-2-yl)-3-[3-(methylthio)phenyl]urea

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

You're asking about a specific chemical compound with a complex name: **1-(4-methyl-1,3-benzothiazol-2-yl)-3-[3-(methylthio)phenyl]urea**.

Let's break down what it is and why it might be important in research:

**Structure and Properties:**

* **1-(4-methyl-1,3-benzothiazol-2-yl)-3-[3-(methylthio)phenyl]urea** is an organic compound. Its structure features:
* **A benzothiazole ring:** A six-membered ring containing both benzene and thiazole components. The 4-methyl indicates a methyl group attached at the 4th position on this ring.
* **A urea group:** A functional group with the structure (NH2)2CO.
* **A phenyl group:** A benzene ring. The 3-(methylthio) part indicates that a methylthio group (CH3S-) is attached at the 3rd position on this phenyl ring.

**Potential Importance in Research:**

While the compound itself is not widely known or studied, its structure and components suggest potential applications in research areas such as:

* **Pharmacology:** The benzothiazole ring is known to be present in various pharmacologically active molecules, including anti-inflammatory agents, antimicrobials, and antihypertensives. The urea group is often associated with drugs targeting enzymes or receptors. The methylthio group can influence the compound's biological activity.
* **Materials Science:** The combination of aromatic rings (benzothiazole and phenyl) could contribute to interesting properties in materials, such as conductivity or optical behavior.
* **Organic Chemistry:** This compound could be used as a starting point for the synthesis of new molecules with specific functionalities.
* **Chemical Biology:** Studying how this compound interacts with biological systems (cells, proteins, etc.) could provide insights into the role of the individual components (benzothiazole, urea, phenylthio) in biological processes.

**Finding More Information:**

To learn more about this specific compound and its potential applications, you'll need to do some research.

* **Chemical Databases:** Check databases like PubChem, SciFinder, or Reaxys to see if any information is available on this specific compound.
* **Scientific Literature:** Search for relevant scientific publications (articles, patents) using keywords related to the structure and potential applications mentioned above.
* **Expert Consultation:** If you need more in-depth information, you could consult with experts in organic chemistry, medicinal chemistry, or related fields.

**Important Note:** The importance of a compound is not determined solely by its structure. The significance often depends on its specific properties, how it interacts with other molecules, and its potential use in solving real-world problems.

Cross-References

ID SourceID
PubMed CID332435
CHEMBL ID1359306
CHEBI ID115070

Synonyms (9)

Synonym
mls000758507 ,
nsc329255
nsc-329255
smr000528948
CHEBI:115070
1-(4-methyl-1,3-benzothiazol-2-yl)-3-(3-methylsulfanylphenyl)urea
CHEMBL1359306
Q27196914
1-(4-methyl-1,3-benzothiazol-2-yl)-3-[3-(methylthio)phenyl]urea
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
ureas
[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 (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency39.81070.177814.390939.8107AID2147
TDP1 proteinHomo sapiens (human)Potency14.96920.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency3.54810.180013.557439.8107AID1468
67.9K proteinVaccinia virusPotency11.22020.00018.4406100.0000AID720580
serine-protein kinase ATM isoform aHomo sapiens (human)Potency3.54810.707925.111941.2351AID485349
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency89.12513.548119.542744.6684AID743266
eyes absent homolog 2 isoform aHomo sapiens (human)Potency79.43281.199814.641950.1187AID488837
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency100.00000.075215.225339.8107AID485360
Guanine nucleotide-binding protein GHomo sapiens (human)Potency2.23871.995325.532750.1187AID624287
[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 (12)

Assay IDTitleYearJournalArticle
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
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.
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.
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.
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.
[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]