Page last updated: 2024-12-10

2-(2,4-dibromophenoxy)-N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]acetamide

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 rather complex organic molecule with a long and descriptive name. Let's break it down and understand why it might be important for research:

**Breaking Down the Chemical Name:**

* **2-(2,4-dibromophenoxy):** This part tells us there is a phenoxy group (an oxygen atom bonded to a benzene ring) with two bromine atoms at the 2nd and 4th positions on the benzene ring. This group is attached to a 2-carbon chain (acetamide).
* **N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]acetamide:** This portion is a bit more involved.
* **N-** indicates that the following group is attached to a nitrogen atom.
* **[3-(hydroxymethyl)anilino]**: This describes an aniline group (an amino group attached to a benzene ring) with a hydroxymethyl group (CH2OH) attached at the 3rd position on the benzene ring.
* **-sulfanylidenemethyl**: This means a sulfur atom is double-bonded to a methylene group (CH2). The entire group is attached to the nitrogen atom (N) mentioned earlier.
* **acetamide**: This refers to a basic amide group (NH-CO-CH3)

**Overall Structure:**

This molecule appears to be a complex, potentially biologically active compound with a unique combination of functional groups:

* **Halogenation (bromine):** Bromine atoms are often used to modify drug molecules, influencing their properties like solubility, bioavailability, and target binding.
* **Phenoxy group:** Common in pharmaceuticals and agrochemicals, this group can interact with biological systems.
* **Aniline:** Aromatic amines are frequently found in drugs and can participate in various biological interactions.
* **Hydroxymethyl:** This group can add potential for hydrogen bonding and contribute to water solubility.
* **Sulfanylidenemethyl**: This group can potentially engage in interactions with various biological targets.

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

The combination of these functional groups suggests that this molecule could be:

* **A drug candidate:** Its structure and potential interactions with biological systems could make it a promising lead compound for developing new medications.
* **A probe for biological studies:** Its unique chemical features might allow it to interact with specific proteins or enzymes, enabling researchers to study their functions.
* **A building block for further synthesis:** This molecule could be used as a starting point for creating other more complex and potentially valuable compounds.

**Important Note:**

Without further context, it's impossible to definitively say why this specific molecule is being investigated. The researchers who synthesized it are likely interested in its potential applications and have chosen it for further exploration.

**To understand its specific research relevance, you would need additional information about:**

* **The research group studying it:** Their expertise and research area can provide clues about the intended application.
* **The specific study's aims:** What are the goals of the research? What are they trying to discover or achieve?
* **The molecule's biological activity:** Does it bind to any specific targets? Does it exhibit any pharmacological effects?

If you have access to publications or information related to this molecule, you can gain a more comprehensive understanding of its research importance.

Cross-References

ID SourceID
PubMed CID3525382
CHEMBL ID1495759
CHEBI ID105689

Synonyms (13)

Synonym
HMS2584N16
AN-329/41574328
n-[(2,4-dibromophenoxy)acetyl]-n'-[3-(hydroxymethyl)phenyl]thiourea
smr000228793
MLS000705927
STK070748
2-(2,4-dibromophenoxy)-n-{[3-(hydroxymethyl)phenyl]carbamothioyl}acetamide
CHEBI:105689
AKOS000494194
2-(2,4-dibromophenoxy)-n-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CHEMBL1495759
2-(2,4-dibromophenoxy)-n-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]acetamide
Q27183446
[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, CruzipainTrypanosoma cruziPotency39.81070.002014.677939.8107AID1476
LuciferasePhotinus pyralis (common eastern firefly)Potency3.79330.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency28.18380.01846.806014.1254AID624417
BRCA1Homo sapiens (human)Potency35.48130.89137.722525.1189AID624202
chaperonin-containing TCP-1 beta subunit homologHomo sapiens (human)Potency100.00003.981127.764939.8107AID504842
ATAD5 protein, partialHomo sapiens (human)Potency7.30780.004110.890331.5287AID504466; AID504467
Microtubule-associated protein tauHomo sapiens (human)Potency9.88910.180013.557439.8107AID1460; AID1468
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency25.11890.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
P53Homo sapiens (human)Potency56.23410.07319.685831.6228AID504706
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency0.35480.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency9.20000.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency0.44670.00022.621531.4954AID485297
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency5.16250.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency0.23110.004611.374133.4983AID624297
survival motor neuron protein isoform dHomo sapiens (human)Potency17.78280.125912.234435.4813AID1458
Guanine nucleotide-binding protein GHomo sapiens (human)Potency10.00001.995325.532750.1187AID624287
[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
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary 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.
[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]