The compound you described, **2-(4-bromophenyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide**, is a **nitrogen-containing heterocyclic molecule** with a specific structure. It belongs to the **pyrazine** family, which are known for their **biological activities** and potential applications in various fields.
**Here's a breakdown of the compound:**
* **Pyrazine:** The core structure of the compound is a pyrazine ring, a six-membered ring containing two nitrogen atoms.
* **Substituents:** The pyrazine ring is adorned with several substituents:
* **2-(4-bromophenyl):** A phenyl group (benzene ring) with a bromine atom attached to its para position (opposite to the point of attachment to the pyrazine ring) at the 2-position of the pyrazine ring.
* **3,5-dimethyl:** Two methyl groups (CH3) attached at the 3 and 5 positions of the pyrazine ring.
* **4-oxido:** An oxygen atom attached to the 4-position of the pyrazine ring, creating an N-oxide.
* **6-phenyl:** Another phenyl group attached at the 6-position of the pyrazine ring.
* **1-ium 1-oxide:** This signifies that the nitrogen atom at the 1-position of the pyrazine ring is positively charged (forming an iminium ion), and an oxygen atom is attached to it (forming an N-oxide).
**Importance in Research:**
While there's limited information available specifically on this compound, its structural features suggest potential for research in various areas:
* **Pharmacology:** Pyrazine derivatives often display a wide range of biological activities, including anti-inflammatory, antibacterial, anticancer, and antioxidant properties. The specific substituents on this compound could influence its pharmacological profile and potentially lead to the development of new drugs.
* **Material Science:** Pyrazines can also be employed as building blocks for constructing materials with desired properties. The presence of the bromine atom could enable further functionalization and modification of the compound for use in organic electronics, sensors, or other materials applications.
* **Synthetic Chemistry:** The unique structure of this compound could make it an interesting target for synthetic chemistry research. It could serve as a starting material for developing new synthetic methods or investigating new reaction pathways.
**To understand the specific importance of this compound, further research is required:**
* **Biological activity testing:** Evaluating its effects on various biological systems, such as bacteria, cancer cells, or inflammatory pathways.
* **Material characterization:** Assessing its physical and chemical properties to determine its potential applications in materials science.
* **Synthetic studies:** Investigating its reactivity and its potential as a building block for synthesizing new molecules.
**In conclusion, 2-(4-bromophenyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide is a complex molecule with potential for research in diverse fields. Its specific importance will be determined by further investigation and characterization.**
ID Source | ID |
---|---|
PubMed CID | 1856447 |
CHEMBL ID | 1906653 |
CHEBI ID | 94283 |
Synonym |
---|
HMS1484J04 |
2-(4-bromophenyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide |
IDI1_021984 |
NCGC00179198-01 |
CHEMDIV3_004074 |
2-(4-bromo-phenyl)-3,5-dimethyl-6-phenyl-pyrazine 1,4-dioxide |
MLS000769093 |
smr000433807 |
AKOS001199046 |
BRD-K57836103-001-01-8 |
STK844786 |
2-(4-bromophenyl)-3,5-dimethyl-6-phenylpyrazine 1,4-dioxide |
HMS2784G17 |
AB00309261-08 |
CHEMBL1906653 |
2-(4-bromophenyl)-3,5-dimethyl-6-phenylpyrazine-1,4-diium-1,4-bis(olate) |
Z166627004 |
CHEBI:94283 |
NCGC00179198-02 |
Q27166093 |
Class | Description |
---|---|
organobromine compound | A compound containing at least one carbon-bromine bond. |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 10.0000 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 11.2202 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[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 |
---|---|---|---|---|
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. |
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. |
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. |
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. |
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 | |||
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. |
[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] |