The compound you're asking about, **2-(4-bromophenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester**, is a synthetic organic molecule. It's not a naturally occurring compound, and its importance likely stems from its potential for research and development in various fields. Here's why:
**1. Chemical Structure and Potential Applications:**
* **Structure:** This compound combines elements from different classes of organic molecules:
* **Quinoline:** A heterocyclic aromatic compound with potential in medicinal chemistry, often used in antimalarial drugs.
* **Bromophenyl:** A substituted benzene ring with a bromine atom, known for its potential in modifying pharmacological properties.
* **2-Oxo-3-oxolanyl:** A cyclic ester, or lactone, which can influence bioavailability and drug delivery.
* **Potential Applications:** Based on its structure, this compound might be explored in:
* **Pharmacology:** As a potential lead compound for developing drugs, particularly those targeting the quinoline-binding sites of certain proteins.
* **Materials Science:** The unique combination of aromatic and cyclic moieties might offer interesting properties for material design, potentially leading to new polymers or functional materials.
**2. Research Importance:**
* **Lead Compound Development:** This compound could serve as a starting point for researchers developing new drugs or other compounds with specific biological or material properties.
* **Structure-Activity Relationships (SAR):** Modifying the structure of this compound (by adding or removing functional groups) allows researchers to study the relationship between chemical structure and biological activity, leading to improved drug design.
* **Synthesis and Characterization:** The synthesis of this compound would be a valuable research effort, allowing for detailed characterization of its chemical and physical properties, paving the way for further investigations.
**Important Considerations:**
* **Biological Activity:** It's crucial to remember that this compound has not yet been extensively tested for biological activity. Research is needed to determine its safety and efficacy.
* **Regulatory Approvals:** Any potential drug application would require extensive preclinical and clinical trials before reaching the market.
**Overall, 2-(4-bromophenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester represents a synthetic compound with potential for research in fields like pharmacology and materials science. However, it's crucial to note that its specific applications and importance will depend on the results of ongoing research and development efforts.**
ID Source | ID |
---|---|
PubMed CID | 4647004 |
CHEMBL ID | 1455929 |
CHEBI ID | 116175 |
Synonym |
---|
MLS000565730 , |
smr000152897 |
OPREA1_641974 |
CHEBI:116175 |
MLS002636441 |
ZINC02665114 |
ZINC02665113 |
(2-oxooxolan-3-yl) 2-(4-bromophenyl)quinoline-4-carboxylate |
HMS2458B15 |
Z19042136 |
CHEMBL1455929 |
2-(4-bromophenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester |
Q27198914 |
AKOS033656141 |
Class | Description |
---|---|
quinolines | A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring. |
[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 | 44.6684 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 39.8107 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 19.0115 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
ClpP | Bacillus subtilis | Potency | 31.6228 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 42.2395 | 0.1800 | 13.5574 | 39.8107 | AID1460; AID1468 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 56.2341 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 28.1838 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 56.2341 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 56.2341 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
protein binding | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
extracellular region | Glycoprotein hormones alpha chain | Homo sapiens (human) |
extracellular space | Glycoprotein hormones alpha chain | Homo sapiens (human) |
Golgi lumen | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone complex | Glycoprotein hormones alpha chain | Homo sapiens (human) |
pituitary gonadotropin complex | Glycoprotein hormones alpha chain | Homo sapiens (human) |
extracellular space | Glycoprotein hormones alpha chain | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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 | |||
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. |
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 | |||
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 (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] |