Page last updated: 2024-12-10

1-[2-(dimethylamino)ethyl]-3-(2,4-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea

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: **1-[2-(dimethylamino)ethyl]-3-(2,4-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea**. While I can't give you specific research insights, I can break down its structure and why it might be interesting to researchers.

**Understanding the Chemical Structure**

* **Thiourea:** The core of the molecule is a thiourea group. This is similar to a urea molecule but with a sulfur atom instead of oxygen. Thioureas have diverse biological activities and are often used in drug discovery.
* **Substituents:** The compound has several other groups attached to the thiourea core:
* **(2,4-dimethylphenyl):** A benzene ring with two methyl groups. This aromatic ring is a common building block in many organic molecules and can influence the compound's properties.
* **(thiophen-2-ylmethyl):** A five-membered ring containing sulfur (thiophene) with a methylene group attached. Thiophenes are known for their biological activity and are often incorporated into drug-like molecules.
* **(2-(dimethylamino)ethyl):** An aliphatic chain with a dimethylamino group. This group can make the molecule more water-soluble and potentially interact with biological targets.

**Possible Research Significance**

Given the structure, this compound could be of interest for research in various fields:

* **Pharmacology/Drug Discovery:**
* Thioureas are known for their ability to interact with proteins and enzymes. The specific substituents on this thiourea could make it a potential drug candidate for treating various diseases.
* The dimethylamino group might enhance its ability to bind to specific receptors.
* The aromatic rings and thiophene ring could contribute to its activity and/or pharmacokinetic properties.
* **Materials Science:**
* Thioureas are sometimes used in the synthesis of polymers and other materials with unique properties. This compound could be investigated for its potential in creating new materials.
* **Analytical Chemistry:**
* The compound might be useful as a reagent or standard in analytical chemistry. Its unique structure could allow for specific detection or analysis of certain substances.

**Important Considerations:**

* **Specificity:** The specific properties and activity of this compound are unknown without experimental data.
* **Research Context:** The significance of this compound depends heavily on the specific research goals of the scientists involved.

**To find out more about this compound, you would need to:**

1. **Look for scientific publications:** Search databases like PubMed or Google Scholar using the compound's name or a similar structure.
2. **Contact researchers:** Reach out to scientists working in related fields to see if they have any information on this compound.

Remember, scientific research is a dynamic process, and the importance of a compound can change as new discoveries are made.

Cross-References

ID SourceID
PubMed CID3390606
CHEMBL ID1470628
CHEBI ID105116

Synonyms (15)

Synonym
smr000311238
MLS000689439 ,
n-[2-(dimethylamino)ethyl]-n'-(2,4-dimethylphenyl)-n-(thien-2-ylmethyl)thiourea
CHEBI:105116
AKOS002117268
HMS2713K13
CHEMBL1470628
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea
bdbm88767
cid_3390606
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethylphenyl)-1-(2-thenyl)thiourea
3-[2-(dimethylamino)ethyl]-1-(2,4-dimethylphenyl)-3-[(thiophen-2-yl)methyl]thiourea
Q27182809
SR-01000582633-1
sr-01000582633
[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 (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency14.09190.140911.194039.8107AID2451
glp-1 receptor, partialHomo sapiens (human)Potency15.84890.01846.806014.1254AID624417
phosphopantetheinyl transferaseBacillus subtilisPotency31.62280.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency32.62940.004110.890331.5287AID504466
hypothetical protein, conservedTrypanosoma bruceiPotency12.58930.223911.245135.4813AID624173
regulator of G-protein signaling 4Homo sapiens (human)Potency19.95260.531815.435837.6858AID504845
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency89.12510.354828.065989.1251AID504847
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency25.92900.00419.984825.9290AID504444
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency8.43680.168316.404067.0158AID720504
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency10.00000.00798.23321,122.0200AID2551
gemininHomo sapiens (human)Potency23.10930.004611.374133.4983AID624297
[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)
tyrosine-protein phosphatase non-receptor type 11 isoform 1Homo sapiens (human)IC50 (µMol)3.37000.16003.37599.8800AID602367
dual specificity protein phosphatase 3Homo sapiens (human)IC50 (µMol)1.36000.40009.361090.0000AID602374
tyrosine-protein phosphatase non-receptor type 5 isoform aHomo sapiens (human)IC50 (µMol)40.30004.170012.545719.0000AID602372; AID624207
tyrosine-protein phosphatase non-receptor type 22 isoform 1Homo sapiens (human)IC50 (µMol)100.00000.48002.64498.3270AID624241
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

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.
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.
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.
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
[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]