You're describing a compound with a rather complex chemical name, but it's likely a **potential drug candidate**!
Let's break down the name and understand its potential significance in research:
**1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid**
* **1-cyclopropyl:** This part indicates a cyclopropyl group (a three-membered carbon ring) attached to the first position of the molecule.
* **7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]:** This is a longer chain describing a complex substituent at the 7th position. It includes a piperazine ring (a six-membered ring with two nitrogen atoms), which is further modified with a benzodioxin group and a sulfonyl group.
* **6-fluoro:** A fluorine atom is present at the 6th position.
* **4-oxo:** A carbonyl group (C=O) is present at the 4th position.
* **3-quinolinecarboxylic acid:** This is the core structure of the molecule. It's a quinoline ring (a fused benzene and pyridine ring) with a carboxylic acid group at the 3rd position.
**Why it's important for research:**
This compound's intricate structure suggests it might possess pharmacological activity. Here are some potential reasons why it's being studied:
* **Targeting Specific Receptors:** The complex substituents on the quinoline core could be designed to bind to specific receptors in the body, potentially influencing different biological processes.
* **Therapeutic Potential:** The compound could potentially have therapeutic effects in treating various diseases.
* **Drug Development:** The molecule could be a lead compound for further development into a new drug.
**Important Considerations:**
* **Research Status:** Without more information, it's impossible to say if this compound is currently being researched or developed. You would need to search specific scientific databases or publications to find information about its specific research use.
* **Safety and Efficacy:** Even if this compound shows promising activity in preclinical studies, it needs rigorous testing for safety and efficacy before it can be used as a drug.
**To find more information about this specific compound:**
1. **Search online databases:** Try using databases like PubChem, ChemSpider, or SciFinder.
2. **Search scientific literature:** Look for articles or patents mentioning the full chemical name.
Let me know if you have more information about the compound, such as its potential target or its research context, and I can give you a more specific answer.
ID Source | ID |
---|---|
PubMed CID | 2106919 |
CHEMBL ID | 1581182 |
CHEBI ID | 105360 |
Synonym |
---|
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
STL301561 |
cid 2106919 |
MLS000776640 , |
smr000371891 |
CHEBI:105360 |
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid |
HMS2699F05 |
1-cyclopropyl-7-[4-(2,3-dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperazin-1-yl]-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid |
AKOS008010534 |
743441-94-3 |
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
EN300-08703 |
MLS003910842 |
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid |
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid |
bdbm94905 |
cid_2106919 |
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid |
CHEMBL1581182 |
Q27183083 |
CS-0221255 |
1-cyclopropyl-7-[4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-1-piperazinyl]-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid |
Z45596115 |
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid |
DTXSID101102331 |
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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 63.0957 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 28.1838 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 8.9125 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 0.1000 | 20.8793 | 79.4328 | AID588456 |
WRN | Homo sapiens (human) | Potency | 79.4328 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 16.3535 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 14.5810 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 31.6228 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
PINK1 | Homo sapiens (human) | Potency | 50.1187 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
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 | 50.1187 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
IDH1 | Homo sapiens (human) | Potency | 18.3564 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 18.3564 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 50.1187 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 15.8489 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 60.9972 | 0.1337 | 25.4129 | 89.1251 | AID588795; AID720498 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 79.4328 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 26.6795 | 0.0501 | 27.0736 | 89.1251 | AID720496 |
geminin | Homo sapiens (human) | Potency | 18.3564 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 15.8489 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 17.7828 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 79.4328 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 14.1254 | 1.9953 | 25.5327 | 50.1187 | AID624288 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
low molecular weight phosphotyrosine protein phosphatase isoform c | Homo sapiens (human) | IC50 (µMol) | 80.0000 | 4.9700 | 11.2567 | 19.6000 | AID652005 |
Low molecular weight phosphotyrosine protein phosphatase | Homo sapiens (human) | IC50 (µMol) | 2.8900 | 2.8600 | 9.6336 | 17.2000 | AID651700 |
[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. |
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. |
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. |
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 | |||
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] |