The compound you described, **1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxo-5-benzimidazolesulfonamide**, is a complex organic molecule with potential applications in **drug discovery and development**.
Here's a breakdown of its structure and potential significance:
**Structure:**
* **Benzimidazole core:** This is the central part of the molecule, a heterocyclic ring system containing both benzene and imidazole rings.
* **Sulfonamide group:** The -SO2NH- group attached to the benzimidazole core.
* **Substituents:**
* **Diethyl groups:** Two ethyl (CH3CH2) groups are attached at positions 1 and 3 of the benzimidazole ring.
* **Methyl group:** A methyl (CH3) group is attached at position 6 of the benzimidazole ring.
* **2-Methylphenyl group:** A phenyl (C6H5) ring with a methyl group attached at the 2 position is linked to the sulfonamide nitrogen.
* **2-Oxo group:** A carbonyl (C=O) group is attached at position 2 of the benzimidazole ring.
**Importance for research:**
The combination of the benzimidazole core and the sulfonamide group is known to exhibit various pharmacological activities, including:
* **Anti-inflammatory:** Some benzimidazolesulfonamides have been shown to inhibit inflammatory pathways, potentially useful for treating conditions like arthritis.
* **Antibacterial:** Sulfonamides are known to interfere with bacterial metabolism, making them valuable as antibacterial agents.
* **Anti-cancer:** Certain benzimidazoles have demonstrated anticancer properties by targeting specific cellular processes.
* **Antiviral:** Benzimidazole derivatives have been explored for their antiviral potential against various viruses.
**However, it is important to note:**
* **The specific compound you mentioned (1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxo-5-benzimidazolesulfonamide)** has **not been extensively studied** and its exact biological properties are likely **unknown**.
* **This specific compound may not be commercially available** and its synthesis would require specialized chemical expertise.
**Research Potential:**
The unique structural features of this compound could potentially make it a **lead candidate for drug development** in the following areas:
* **Optimization of existing drug candidates:** Researchers could use this compound as a starting point to design and synthesize new analogs with improved pharmacological profiles.
* **Investigation of novel therapeutic targets:** The compound could be tested for its activity against various biological targets, potentially leading to the discovery of new therapeutic applications.
**Overall:**
While the specific compound you mentioned is not well-characterized, its structure suggests potential for research in the field of drug discovery. Further investigation and experimentation would be required to fully understand its biological properties and therapeutic potential.
ID Source | ID |
---|---|
PubMed CID | 1248078 |
CHEMBL ID | 1415437 |
CHEBI ID | 114712 |
Synonym |
---|
HMS1599E21 |
MLS000051812 , |
smr000080873 |
1,3-diethyl-6-methyl-n-(2-methylphenyl)-2-oxo-2,3-dihydro-1h-benzimidazole-5-sulfonamide |
CHEBI:114712 |
1,3-diethyl-6-methyl-n-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide |
MLS002547972 |
AKOS003277928 |
HMS2432G15 |
CHEMBL1415437 |
1,3-diethyl-2-keto-6-methyl-n-(o-tolyl)benzimidazole-5-sulfonamide |
1,3-diethyl-6-methyl-n-(2-methylphenyl)-2-oxidanylidene-benzimidazole-5-sulfonamide |
bdbm71815 |
1,3-diethyl-6-methyl-n-(2-methylphenyl)-2-oxo-5-benzimidazolesulfonamide |
cid_1248078 |
Q27196117 |
Class | Description |
---|---|
sulfonamide | An 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 100.0000 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 18.3564 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686979 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 23.1093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 3.5481 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 12.5893 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
geminin | Homo sapiens (human) | Potency | 6.5131 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 7.9433 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 25.1189 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 50.1187 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[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) |
---|---|---|---|---|---|---|---|
Hsf1 protein | Mus musculus (house mouse) | EC50 (µMol) | 260.0000 | 0.1600 | 24.4900 | 236.5000 | AID435004 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |