You're asking about **1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine**, a compound with a rather complex structure. Here's a breakdown:
**Structure and Chemistry:**
* **Components:** The name describes its chemical makeup:
* **Thiophene:** A five-membered ring containing sulfur (S) and four carbons (C).
* **Pyrrolo[3,2-b]quinoxaline:** A fused ring system derived from a pyrrole ring (five-membered, containing nitrogen) and a quinoxaline ring (fused benzene and pyrazine rings).
* **Sulfonyl:** A sulfur atom double-bonded to two oxygen atoms (SO2).
* **Amine:** A nitrogen atom bonded to two hydrogen atoms (NH2).
* **Key features:**
* The thiophene and pyrrolo[3,2-b]quinoxaline rings are connected by a sulfonyl group, creating a potentially pharmacologically active structure.
* The thiophene ring is substituted with a thiophen-2-ylmethyl group at the 1 position.
* The pyrrolo[3,2-b]quinoxaline ring has a thiophen-2-ylsulfonyl group at the 3 position and an amine at the 2 position.
**Research Significance:**
While the exact research significance of this specific compound is not readily available without further context, compounds similar to it are often investigated in drug discovery. Here's why:
* **Potential Biological Activity:** Compounds with this kind of structure are often investigated for their potential to interact with various biological targets.
* **Possible Targets:** For example, they might bind to receptors, enzymes, or other molecules involved in biological processes.
* **Therapeutic Applications:** This could lead to potential applications in areas like:
* **Cancer treatment:** Targeting specific proteins involved in tumor growth or development.
* **Inflammatory diseases:** Modulating immune responses or reducing inflammation.
* **Neurological disorders:** Affecting neurotransmission or altering brain activity.
* **Structure-Activity Relationships (SAR):** Researchers often create variations on a core structure like this to study how changes in the molecule's makeup affect its activity.
* **Optimizing efficacy:** Identifying structural modifications that enhance potency or selectivity for a specific target.
* **Improving drug properties:** Modifying the molecule to enhance its solubility, bioavailability, or stability.
**To find the specific research behind this compound, you would need more information:**
* **Who synthesized or investigated it?** Researchers' names or affiliated institutions can help you find publications.
* **What was the research focus?** Knowing the therapeutic area or target of interest is crucial.
* **Was it patented or in a clinical trial?** These details would indicate its potential for future development.
**To find more information, you could:**
* **Search scientific databases:** Use terms like thiophene, pyrroloquinoxaline, sulfonyl, and the specific compound name to find relevant publications.
* **Contact researchers:** If you have identified a specific research group or institution, contacting them directly might be helpful.
Remember, exploring the world of chemical compounds and their potential applications requires extensive research and careful analysis.
ID Source | ID |
---|---|
PubMed CID | 664863 |
CHEMBL ID | 1579414 |
CHEBI ID | 123384 |
SCHEMBL ID | 23692805 |
Synonym |
---|
smr000045762 |
MLS000041547 |
CHEBI:123384 |
MLS002583515 |
1-(thiophen-2-ylmethyl)-3-(thiophen-2-ylsulfonyl)-1h-pyrrolo[2,3-b]quinoxalin-2-amine |
STK990159 |
1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine |
HMS1659L18 |
HMS2181K22 |
AKOS005644131 |
F3225-2628 |
848766-40-5 |
CHEMBL1579414 |
1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine |
Q27213094 |
VU0224016-4 |
1-[(thiophen-2-yl)methyl]-3-(thiophene-2-sulfonyl)-1h-pyrrolo[2,3-b]quinoxalin-2-amine |
SCHEMBL23692805 |
Class | Description |
---|---|
quinoxaline derivative | Any naphthyridine derivative that is a derivative of quinoxaline (1,4-naphthyridine). |
[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, HADH2 protein | Homo sapiens (human) | Potency | 15.8489 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 15.8489 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 31.6228 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 25.1189 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 56.2341 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
ClpP | Bacillus subtilis | Potency | 31.6228 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
15-lipoxygenase, partial | Homo sapiens (human) | Potency | 15.8489 | 0.0126 | 10.6917 | 88.5700 | AID887 |
chaperonin-containing TCP-1 beta subunit homolog | Homo sapiens (human) | Potency | 100.0000 | 3.9811 | 27.7649 | 39.8107 | AID504842 |
TDP1 protein | Homo sapiens (human) | Potency | 23.7246 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 31.6228 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
PINK1 | Homo sapiens (human) | Potency | 50.1187 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 1.5849 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 2.8184 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
glucocerebrosidase | Homo sapiens (human) | Potency | 25.1189 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
Parkin | Homo sapiens (human) | Potency | 50.1187 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 35.4813 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
alpha-galactosidase | Homo sapiens (human) | Potency | 28.1838 | 4.4668 | 18.3916 | 35.4813 | AID2107 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 28.1838 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0018 | 15.6638 | 39.8107 | AID894 |
ubiquitin carboxyl-terminal hydrolase 2 isoform a | Homo sapiens (human) | Potency | 12.5893 | 0.6561 | 9.4520 | 25.1189 | AID927 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 75.6863 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
caspase-1 isoform alpha precursor | Homo sapiens (human) | Potency | 19.9526 | 0.0003 | 11.4484 | 31.6228 | AID900 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 22.3872 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 7.9433 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Caspase-7 | Homo sapiens (human) | Potency | 25.1189 | 3.9811 | 18.5856 | 31.6228 | AID889 |
Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens (human) | Potency | 12.5893 | 1.5849 | 13.0043 | 25.1189 | AID927 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 31.6228 | 1.0000 | 10.4756 | 28.1838 | AID901 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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 (16.67) | 29.6817 |
2010's | 4 (66.67) | 24.3611 |
2020's | 1 (16.67) | 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 (12.41) 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 | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |