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.
ID Source | ID |
---|---|
PubMed CID | 1319018 |
CHEMBL ID | 1404262 |
CHEBI ID | 107711 |
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 |
Class | Description |
---|---|
alkylbenzene | A 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 60.3740 | 0.0447 | 17.8581 | 100.0000 | AID485294; AID485341 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 3.9811 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 21.3313 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 11.2202 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
BRCA1 | Homo sapiens (human) | Potency | 10.0000 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 19.4683 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
GLS protein | Homo sapiens (human) | Potency | 5.6234 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
TDP1 protein | Homo sapiens (human) | Potency | 23.1093 | 0.0008 | 11.3822 | 44.6684 | AID686979 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 3.1623 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 19.9526 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 79.4328 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 0.1778 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 3.1623 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 8.1995 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 2.8184 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 0.1778 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 0.1778 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay 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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.56) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |