The chemical name you provided, **1-azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone**, is a mouthful! It's easier to understand if we break it down:
* **1-azepanyl:** This refers to a 7-membered ring containing nitrogen (azepane), with a substituent at the 1-position.
* **[2-[4-(difluoromethylthio)anilino]phenyl]methanone:** This is a complex aromatic structure containing a ketone group (methanone) connected to a phenyl ring with an aniline group (anilino) attached. The aniline group has a difluoromethylthio group at the 4-position.
This molecule, likely a synthetic compound, is a **potential drug candidate**. Its importance for research stems from its **structural features**:
* **Azepane ring:** This ring system is commonly found in drugs that act on the central nervous system, potentially leading to activity related to mood, cognition, and other neurological functions.
* **Aniline group:** Anilines are often found in drugs with pharmacological activity. This specific aniline with a difluoromethylthio substituent suggests a potential for interacting with specific biological targets.
* **Ketone group:** Ketones are common functional groups in pharmaceuticals, contributing to their properties like absorption and binding affinity.
Therefore, this compound is likely being investigated for its potential to:
* **Treat neurological disorders:** Due to its azepane ring and aniline group, it might show activity against conditions like depression, anxiety, or cognitive impairment.
* **Target specific proteins:** The specific structure, especially the difluoromethylthio group, could potentially bind to and modulate the activity of certain proteins involved in disease processes.
* **Exhibit unique pharmacological effects:** The combination of these structural features might lead to a new and valuable drug with unique properties.
It's crucial to note that this compound is likely in the early stages of research. Further investigation is needed to determine its specific biological effects, safety, and potential therapeutic applications.
Without access to the specific research data, it's impossible to provide more detailed information about the compound's potential importance. However, its unique structure suggests it has the potential to be a valuable lead compound for drug development.
ID Source | ID |
---|---|
PubMed CID | 2313407 |
CHEMBL ID | 1557479 |
CHEBI ID | 116306 |
Synonym |
---|
smr000155705 |
MLS000536802 |
CHEBI:116306 |
azepan-1-yl-[2-[4-(difluoromethylsulfanyl)anilino]phenyl]methanone |
HMS2378O10 |
Z27703338 |
CHEMBL1557479 |
Q27199164 |
1-azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone |
AKOS034024523 |
Class | Description |
---|---|
benzamides | |
[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, Ferritin light chain | Equus caballus (horse) | Potency | 50.1187 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 22.3872 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 35.4813 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 20.7329 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 10.0000 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 25.1189 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
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 | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 22.3872 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 44.6684 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
geminin | Homo sapiens (human) | Potency | 18.3564 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 17.7828 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 14.1254 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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 | |||
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
[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] |