2-(2-phenoxyethylsulfonyl)-1H-benzimidazole is a chemical compound with the molecular formula C15H14N2O3S. It's a benzimidazole derivative with a phenoxyethyl sulfonyl group attached at the 2-position.
**Importance in Research:**
While there is no extensive research specifically focusing on 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole, its importance stems from its structural similarity to known bioactive compounds and its potential for use in various research areas:
* **Benzimidazole Derivatives:** Benzimidazoles are a versatile class of heterocyclic compounds with diverse pharmacological activities. They have been investigated for their potential as **anti-parasitic, anti-viral, anti-bacterial, anti-fungal, anti-cancer, and anti-inflammatory agents.**
* **Sulfonyl Group:** The presence of the sulfonyl group in 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole might contribute to its biological activity. Sulfonyl groups are often found in pharmacologically active compounds and can influence their **pharmacokinetic properties** (absorption, distribution, metabolism, and excretion) and **pharmacodynamic properties** (how they interact with biological targets).
* **Phenoxyethyl Moiety:** The phenoxyethyl group can potentially enhance the compound's **lipophilicity**, which could improve its **membrane permeability** and allow it to reach its target site more efficiently.
**Potential Research Areas:**
Due to its chemical structure, 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole could be explored in the following research areas:
* **Synthesis and Evaluation as a Potential Drug Candidate:** Researchers could synthesize and evaluate this compound for its pharmacological activity against various biological targets.
* **Structure-Activity Relationship Studies:** Investigating the effect of modifying the sulfonyl group or the phenoxyethyl group could provide insights into the structure-activity relationships of benzimidazole derivatives.
* **Pharmacokinetic and Pharmacodynamic Studies:** Understanding how this compound is absorbed, distributed, metabolized, and excreted in the body, as well as its mechanism of action, would be crucial for its potential therapeutic use.
It's important to note that 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole has not been extensively studied and its biological activity and potential applications are still largely unknown. Further research is required to determine its true potential in drug discovery and other research areas.
ID Source | ID |
---|---|
PubMed CID | 576549 |
CHEMBL ID | 1535354 |
CHEBI ID | 121885 |
SCHEMBL ID | 12214433 |
Synonym |
---|
OPREA1_212052 |
MLS000062739 |
smr000071276 |
2-[(2-phenoxyethyl)sulfonyl]-1h-benzimidazole |
AG-670/40829121 |
1h-benzimidazol-2-yl 2-phenoxyethyl sulfone |
2-(2-phenoxy-ethanesulfonyl)-1h-benzoimidazole |
CHEBI:121885 |
2-(2-phenoxyethylsulfonyl)-1h-benzimidazole |
AKOS000543288 |
STK767481 |
CCG-19825 |
HMS2377G19 |
2-[(2-phenoxyethyl)sulfonyl]benzimidazole |
CHEMBL1535354 , |
bdbm50425746 |
SCHEMBL12214433 |
UFWQPVYIZPUELO-UHFFFAOYSA-N |
1h-benzimidazol-2-yl 2-phenoxyethyl sulfone # |
SR-01000485469-1 |
sr-01000485469 |
Q27210492 |
1h-1,3-benzimidazol-2-yl (2-phenoxyethyl) sulfone |
Class | Description |
---|---|
sulfoxide | An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H). |
benzimidazoles | An organic heterocyclic compound containing a benzene ring fused to an imidazole ring. |
[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 | 7.0795 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 44.6684 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 23.1093 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 12.5893 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
Smad3 | Homo sapiens (human) | Potency | 16.9537 | 0.0052 | 7.8098 | 29.0929 | AID588855; AID720534; AID720536; AID720537 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 6.3096 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
P53 | Homo sapiens (human) | Potency | 35.4813 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
IDH1 | Homo sapiens (human) | Potency | 29.0929 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
cellular tumor antigen p53 isoform a | Homo sapiens (human) | Potency | 28.3709 | 0.3162 | 12.4435 | 31.6228 | AID902; AID924 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
geminin | Homo sapiens (human) | Potency | 5.8048 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 19.9526 | 0.0580 | 10.6949 | 26.6086 | AID602310 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 2.2387 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
Integrin beta-3 | Homo sapiens (human) | Potency | 25.1189 | 0.3162 | 11.4157 | 31.6228 | AID924 |
Integrin alpha-IIb | Homo sapiens (human) | Potency | 25.1189 | 0.3162 | 11.4157 | 31.6228 | AID924 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 12.5893 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 5.6234 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Androgen receptor | Homo sapiens (human) | IC50 (µMol) | 200.0000 | 0.0000 | 0.8753 | 10.0000 | AID720863 |
[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. |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
AID720863 | Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay | 2013 | Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3 | Targeting the binding function 3 (BF3) site of the androgen receptor through virtual screening. 2. development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole derivatives. |
[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 (12.50) | 29.6817 |
2010's | 5 (62.50) | 24.3611 |
2020's | 2 (25.00) | 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 (12.17) 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 | 8 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |