The compound you're asking about, **1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester**, is a synthetic organic molecule with a complex structure. It's important to note that **it's not a naturally occurring substance** and has been specifically designed for research purposes.
Here's a breakdown of its components and potential significance:
* **1,3-benzodioxol-5-yl:** This part refers to a substituted benzene ring with a dioxolane ring attached. The dioxolane ring is a five-membered ring containing two oxygen atoms. This structure is commonly found in certain natural products like piperine (from black pepper).
* **4-hydroxy-3-pyrazolecarboxylic acid ethyl ester:** This part indicates a pyrazole ring (a five-membered ring containing two nitrogen atoms) with a hydroxyl group (OH) at the 4th position, a carboxylic acid group at the 3rd position, and an ethyl ester attached to the carboxylic acid.
**Potential Research Significance:**
The specific combination of structural elements in this compound makes it a **potential candidate for drug discovery and development**.
* **Pyrazole derivatives** are known to possess various pharmacological activities, including anti-inflammatory, antimicrobial, and anticancer properties.
* **The presence of a hydroxyl group** often contributes to improved drug absorption and metabolic stability.
* **The 1,3-benzodioxol-5-yl moiety** might provide specific binding interactions with biological targets, potentially leading to unique pharmacological effects.
**It's crucial to understand that this compound is still in the early stages of research.** Its exact biological activity, target proteins, and potential therapeutic applications are currently being investigated.
To learn more about this compound, you would need to look for specific scientific publications that report on its synthesis, biological evaluation, and potential applications.
ID Source | ID |
---|---|
PubMed CID | 703931 |
CHEMBL ID | 1491767 |
CHEBI ID | 108980 |
Synonym |
---|
MLS000060652 |
smr000066242 |
AF-399/15539330 |
ethyl 1-(1,3-benzodioxol-5-yl)-4-hydroxy-1h-pyrazole-3-carboxylate |
OPREA1_376721 |
EU-0042483 |
CHEBI:108980 |
AKOS001037304 |
ethyl 1-(1,3-benzodioxol-5-yl)-4-hydroxypyrazole-3-carboxylate |
HMS2177M16 |
CHEMBL1491767 |
1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester |
Q27187959 |
Z56831165 |
Class | Description |
---|---|
benzodioxoles | |
[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 | 0.3981 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 39.8107 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 16.8091 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 16.8091 | 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 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 11.9955 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 79.4328 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
BRCA1 | Homo sapiens (human) | Potency | 3.1623 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ClpP | Bacillus subtilis | Potency | 31.6228 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
15-lipoxygenase, partial | Homo sapiens (human) | Potency | 39.8107 | 0.0126 | 10.6917 | 88.5700 | AID887 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 8.8152 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 3.1623 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
cellular tumor antigen p53 isoform a | Homo sapiens (human) | Potency | 11.2947 | 0.3162 | 12.4435 | 31.6228 | AID902; AID924 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0018 | 15.6638 | 39.8107 | AID894 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 44.6684 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 5.0119 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 35.4813 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
Integrin beta-3 | Homo sapiens (human) | Potency | 12.5893 | 0.3162 | 11.4157 | 31.6228 | AID924 |
Integrin alpha-IIb | Homo sapiens (human) | Potency | 12.5893 | 0.3162 | 11.4157 | 31.6228 | AID924 |
[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. |
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 | |||
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. |
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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |