Page last updated: 2024-12-09

1-(1-azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone

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

The compound you described, **1-(1-azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone**, is a **synthetic molecule** with a complex structure that has been investigated in the context of **drug discovery**.

Let's break down its structure and potential applications:

* **1-azepanyl:** This part refers to a seven-membered ring containing nitrogen, called azepane, where the nitrogen is substituted with a single hydrogen.
* **2-(2-bromo-4-propan-2-ylphenoxy)ethanone:** This is a larger fragment containing:
* **2-bromo-4-propan-2-ylphenoxy:** A benzene ring with a bromine atom (Br) at position 2 and an isopropyl group (propan-2-yl) at position 4, all linked to an oxygen atom.
* **ethanone:** This refers to an acetyl group (CH3CO-), which is connected to the oxygen atom.

The entire molecule is a combination of these components, suggesting it could have pharmacological activity due to its structural complexity.

**Importance in Research:**

The specific importance of this molecule depends on the research context. It is likely that researchers are investigating its potential as a **drug candidate** for a particular disease or condition. Here's why:

* **Structural diversity:** The compound's structure contains various functional groups, including a nitrogen-containing ring, a halogen (bromine), an aromatic ring, and a ketone group. This diversity can lead to interactions with various biological targets.
* **Potential for biological activity:** This compound could potentially bind to proteins, enzymes, or other biological receptors, thus influencing cellular processes.
* **Targeting specific pathways:** Researchers might aim to develop this molecule into a drug that targets specific pathways involved in disease pathogenesis.

**Example Applications:**

* **Anti-inflammatory agents:** The structure of the compound could allow for interactions with enzymes involved in inflammation, potentially leading to anti-inflammatory effects.
* **Anti-cancer agents:** The compound might interfere with cell growth and proliferation, making it a potential anticancer agent.
* **Neurological disorders:** The compound's structure could affect neurotransmitter activity, potentially providing therapeutic benefits for neurological disorders.

**Important Note:** It's crucial to remember that the importance of this molecule is tied to the specific research objectives. Without more context about the research context, it is impossible to definitively state its specific relevance.

**To understand the importance of 1-(1-azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone, you would need to access the specific research article or publication where it's mentioned.** This would provide detailed information about the research goals, methodologies, and findings related to this compound.

Cross-References

ID SourceID
PubMed CID1319018
CHEMBL ID1404262
CHEBI ID107711

Synonyms (12)

Synonym
HMS2618E17
smr000292795
MLS000663652
1-[(2-bromo-4-isopropylphenoxy)acetyl]azepane
1-(azepan-1-yl)-2-[2-bromo-4-(propan-2-yl)phenoxy]ethanone
STK225467
CHEBI:107711
AKOS003043840
1-(azepan-1-yl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone
CHEMBL1404262
1-(1-azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone
Q27186038
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
alkylbenzeneA monocyclic arene that is benzene substituted with one or more alkyl groups.
[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 (18)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency60.37400.044717.8581100.0000AID485294; AID485341
Chain A, Ferritin light chainEquus caballus (horse)Potency3.98115.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency21.33130.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency11.22020.01846.806014.1254AID624417
BRCA1Homo sapiens (human)Potency10.00000.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency19.46830.004110.890331.5287AID504466; AID504467
GLS proteinHomo sapiens (human)Potency5.62340.35487.935539.8107AID624170
TDP1 proteinHomo sapiens (human)Potency23.10930.000811.382244.6684AID686979
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency3.16230.707912.194339.8107AID720542
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency19.95260.28189.721235.4813AID2326
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency79.43280.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency0.17780.036619.637650.1187AID1466; AID2242
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.16230.01262.451825.0177AID485313
chromobox protein homolog 1Homo sapiens (human)Potency89.12510.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency8.19950.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency2.81840.00022.621531.4954AID485297
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency0.17783.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency0.17783.548118.039535.4813AID1466
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

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.
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.
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
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.
[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]