Page last updated: 2024-12-09

1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane

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

1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane is a chemical compound with the following structural formula:

```
Br
|
C
/ \\
OCH3 OCH3
|
C
/ \\
S(=O)2-N(CH2)7
```

It's a complex molecule with a sulfonamide group attached to a seven-membered ring (azepane) and a substituted benzene ring. This type of compound is often used as a **building block in pharmaceutical research** due to the presence of the following functional groups:

* **Sulfonamide:** A common pharmacophore group found in many drugs, often associated with antibacterial activity.
* **Azepane ring:** A cyclic amine that can contribute to drug binding and can be further modified to alter its properties.
* **Substituted benzene ring:** Offers opportunities for further functionalization and modification, influencing the compound's properties and potential biological activity.

**Why is it important for research?**

1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane is a promising **starting point for the synthesis of new drugs**. Its structural features allow for **a wide range of potential modifications**, potentially leading to compounds with novel pharmacological activities. Researchers can modify this compound by:

* **Altering the substituents on the benzene ring:** This can affect the compound's affinity for specific receptors, its pharmacokinetic profile (absorption, distribution, metabolism, and excretion), and its overall biological activity.
* **Introducing new functional groups:** Adding functional groups like carboxyl, amino, or hydroxyl groups can further enhance the compound's biological activity.
* **Modifying the azepane ring:** Changing the ring size or introducing different substituents can affect the compound's interactions with target proteins and its overall properties.

By carefully exploring these modifications, researchers can **identify compounds with desired properties**, potentially leading to new therapies for various diseases.

**However, it's important to note:**

* This compound is a research tool, and **not yet a drug itself**.
* Research involving new chemical entities is a lengthy and complex process.
* **More studies are needed** to fully understand its potential therapeutic value and safety profile.

In summary, 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane is a valuable research tool with potential for development into new therapeutic agents. It's a promising starting point for exploring novel drug candidates.

Cross-References

ID SourceID
PubMed CID566593
CHEMBL ID1331933
CHEBI ID116613

Synonyms (28)

Synonym
OPREA1_286751
1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane
IFLAB1_004671
EU-0043439
IDI1_010426
smr000106410
MLS000110481
OPREA1_234955
CHEBI:116613
HMS1425E07
MLS002540629
AKOS001655695
1-[(4-bromo-2,5-dimethoxyphenyl)sulfonyl]azepane
STK768192
HMS2366D06
F1058-0406
409357-80-8
1-((4-bromo-2,5-dimethoxyphenyl)sulfonyl)azepane
1-(4-bromo-2,5-dimethoxy-benzenesulfonyl)-azepane
CHEMBL1331933
OBMPTPFILZPOKI-UHFFFAOYSA-N
1-[(4-bromo-2,5-dimethoxyphenyl)sulfonyl]azepane #
AP-263/40778042
Q27200612
SR-01000479889-1
sr-01000479889
VU0095336-5
Z1542856679
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
sulfonamideAn amide of a sulfonic acid RS(=O)2NR'2.
[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 (7)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency5.01190.044717.8581100.0000AID485294
glp-1 receptor, partialHomo sapiens (human)Potency4.46680.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency20.59620.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency26.10110.000811.382244.6684AID686978; AID686979
thyroid stimulating hormone receptorHomo sapiens (human)Potency15.84890.001318.074339.8107AID926; AID938
chromobox protein homolog 1Homo sapiens (human)Potency89.12510.006026.168889.1251AID540317
Guanine nucleotide-binding protein GHomo sapiens (human)Potency40.87071.995325.532750.1187AID624287; AID624288
[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
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
[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]