Page last updated: 2024-12-09

1-azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone

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

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.

Cross-References

ID SourceID
PubMed CID2313407
CHEMBL ID1557479
CHEBI ID116306

Synonyms (10)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
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 Targets (15)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency50.11875.623417.292931.6228AID485281
glp-1 receptor, partialHomo sapiens (human)Potency22.38720.01846.806014.1254AID624417
phosphopantetheinyl transferaseBacillus subtilisPotency35.48130.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency29.09290.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency20.73290.000811.382244.6684AID686978; AID686979
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency10.00000.28189.721235.4813AID2326
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency25.11890.707936.904389.1251AID504333
chromobox protein homolog 1Homo sapiens (human)Potency89.12510.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency29.09290.00419.984825.9290AID504444
huntingtin isoform 2Homo sapiens (human)Potency22.38720.000618.41981,122.0200AID1688
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency44.66840.075215.225339.8107AID485360
gemininHomo sapiens (human)Potency18.35640.004611.374133.4983AID624296
lamin isoform A-delta10Homo sapiens (human)Potency17.78280.891312.067628.1838AID1487
neuropeptide S receptor isoform AHomo sapiens (human)Potency10.00000.015812.3113615.5000AID1461
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency14.12541.000010.475628.1838AID1457
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[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]