You're asking about a specific chemical compound, **1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone**. This is a rather complex organic molecule with potential for research applications.
Let's break down the structure and potential importance:
**Structure:**
* **Benzodioxin:** The name benzodioxin suggests a ring system containing benzene (a six-carbon ring) and a dioxin ring. In this case, it's the 2,3-dihydro-1,4-benzodioxin unit, meaning there are two hydrogen atoms attached at positions 2 and 3.
* **Triazolo[4,3-a]pyridine:** This is a fused ring system containing a triazole ring (three nitrogen atoms) attached to a pyridine ring (six-membered ring with one nitrogen atom).
* **Ethanone:** This indicates a ketone functional group (C=O), specifically attached to a two-carbon chain (ethane).
* **Thio:** This indicates a sulfur atom (S) is present, likely connecting the ethanone to the triazolopyridine.
**Potential Importance in Research:**
The complex structure of this compound suggests several potential areas of research:
* **Pharmacology:** This molecule's structure has features commonly found in drugs, including a heterocyclic system (rings containing atoms other than carbon) and a carbonyl group. It might exhibit biological activity, potentially as a:
* **Anti-inflammatory agent:** Benzodioxins are known to have anti-inflammatory properties.
* **Antimicrobial agent:** Triazolopyridine derivatives are often studied for their antimicrobial activity.
* **Materials Science:** Compounds like this can be used as building blocks for constructing polymers or other functional materials. The presence of the ketone and sulfur allows for potential reactions and modifications.
* **Organic Chemistry:** This compound is interesting from a synthetic perspective. Its synthesis may require specific reactions and conditions, leading to understanding new synthetic strategies.
**Important Note:** This information is provided for educational purposes only. Without specific research data or context, it's impossible to determine the exact importance or applications of this particular compound. To learn more, you would need to research specific scientific publications or databases that may investigate this compound's properties.
ID Source | ID |
---|---|
PubMed CID | 2243196 |
CHEMBL ID | 1326041 |
CHEBI ID | 123440 |
Synonym |
---|
smr000020506 |
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone |
MLS000085571 |
CHEBI:123440 |
AKOS000813139 |
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone |
HMS2287K19 |
CCG-25257 |
690643-07-3 |
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone |
F3394-0721 |
CHEMBL1326041 |
Q27213153 |
SR-01000114945-1 |
sr-01000114945 |
VU0224925-4 |
Z20241611 |
Class | Description |
---|---|
benzodioxine | Any organic heterobicyclic compound containing ortho-fused benzene and dioxine rings. |
[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 | 10.0000 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 12.5893 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 12.5893 | 0.0251 | 20.2376 | 39.8107 | AID886 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 10.3122 | 0.0072 | 15.7588 | 89.3584 | AID411; AID588342 |
BRCA1 | Homo sapiens (human) | Potency | 7.0795 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 8.7452 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
Smad3 | Homo sapiens (human) | Potency | 22.3872 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
P53 | Homo sapiens (human) | Potency | 2.8184 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
pyruvate kinase | Leishmania mexicana mexicana | Potency | 28.1838 | 0.3981 | 13.7447 | 31.6228 | AID1721; AID1722 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 1.1220 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
cellular tumor antigen p53 isoform a | Homo sapiens (human) | Potency | 31.6228 | 0.3162 | 12.4435 | 31.6228 | AID924 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 11.2202 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 1.0000 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 16.2710 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 11.2202 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
Integrin beta-3 | Homo sapiens (human) | Potency | 31.6228 | 0.3162 | 11.4157 | 31.6228 | AID924 |
Integrin alpha-IIb | Homo sapiens (human) | Potency | 31.6228 | 0.3162 | 11.4157 | 31.6228 | AID924 |
Endothelin receptor type B | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 0.5623 | 15.1609 | 31.6228 | AID1721 |
Endothelin-1 receptor | Rattus norvegicus (Norway rat) | Potency | 28.1838 | 0.5623 | 15.1609 | 31.6228 | AID1721 |
[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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
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). | |||
AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal of biomolecular screening, Jul, Volume: 21, Issue:6 | A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway. |
[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] |