Page last updated: 2024-12-10

1-butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thiourea

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

1-Butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thiourea is a **synthetic compound**, often used in **research** due to its potential **antimicrobial** and **anticancer** properties.

Let's break down the compound's name and properties:

**Structure:**

* **Thiourea:** This is the central part of the molecule. It contains a sulfur atom (S) double-bonded to a nitrogen atom (N) and single-bonded to another nitrogen atom.
* **1-Butyl:** This indicates a butyl group (C4H9) attached to one of the nitrogen atoms in the thiourea structure.
* **3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]:** This describes a more complex substituent attached to the other nitrogen atom of the thiourea. It consists of:
* **(4,5-dimethyl-3-thiophenyl):** This is a thiophene ring (a five-membered ring with a sulfur atom) with two methyl groups (CH3) attached at positions 4 and 5.
* **(oxomethyl):** This indicates a carbonyl group (C=O) linked to a methyl group.
* **amino:** This indicates that the above structure is attached to the nitrogen atom through an amino group (-NH2).

**Research Significance:**

* **Antimicrobial Activity:** Research indicates this compound exhibits antimicrobial activity against a variety of microorganisms, including bacteria and fungi. This is likely due to its ability to interfere with essential cellular processes within these organisms.
* **Anticancer Activity:** Studies have shown this compound may have anticancer properties, potentially inhibiting the growth and proliferation of cancer cells. This makes it a promising candidate for further investigation as a potential anti-cancer therapeutic.
* **Drug Development:** The compound's biological activity makes it an interesting target for further research and development of new drugs for treating infections and cancer.

**Important Notes:**

* This is a **synthetic compound**, meaning it is not found naturally in the environment.
* The exact mechanism of action for its antimicrobial and anticancer properties is still being studied.
* Further research is needed to determine the safety and efficacy of this compound for human use.

It's important to remember that **scientific research is constantly evolving**. New discoveries and insights about 1-butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thiourea may emerge in the future.

Cross-References

ID SourceID
PubMed CID3554999
CHEMBL ID1366088
CHEBI ID105557

Synonyms (16)

Synonym
AK-968/41172108
n-butyl-2-[(4,5-dimethyl-3-thienyl)carbonyl]hydrazinecarbothioamide
MLS000702889 ,
smr000228045
n-butyl-2-[(4,5-dimethylthiophen-3-yl)carbonyl]hydrazinecarbothioamide
STK449374
CHEBI:105557
1-butyl-3-[(4,5-dimethylthiophene-3-carbonyl)amino]thiourea
AKOS003293939
HMS2561P07
CHEMBL1366088
1-butyl-3-[(4,5-dimethylthiophen-3-yl)carbonylamino]thiourea
bdbm114514
1-butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thiourea
cid_3554999
Q27183306
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
thiophenesCompounds containing at least one thiophene ring.
aromatic amideAn amide in which the amide linkage is bonded directly to an aromatic system.
[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 (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
glp-1 receptor, partialHomo sapiens (human)Potency12.58930.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency27.51100.000811.382244.6684AID686978; AID686979
DNA polymerase betaHomo sapiens (human)Potency22.38720.022421.010289.1251AID485314
ras-related protein Rab-9AHomo sapiens (human)Potency3.16230.00022.621531.4954AID485297
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency7.56270.00798.23321,122.0200AID2546; AID2551
survival motor neuron protein isoform dHomo sapiens (human)Potency12.58930.125912.234435.4813AID1458
Guanine nucleotide-binding protein GHomo sapiens (human)Potency11.22021.995325.532750.1187AID624287
[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]

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
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.
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.
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.
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.
AID1745845Primary 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.
[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]