You're describing a complex organic molecule, specifically a thiourea derivative with a unique structure. Here's a breakdown:
**Structure:**
* **Thiourea:** This is the core functional group, characterized by a carbon atom double-bonded to sulfur and single-bonded to two nitrogen atoms.
* **1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-:** This part describes two substituents attached to the thiourea.
* **(Dimethylamino)ethyl:** This is an amine group with two methyl groups and attached to an ethyl group.
* **(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl:** This complex substituent involves a quinoline ring system with a fused dioxole ring and a ketone group.
* **3-(2-oxolanylmethyl):** This is another substituent attached to the thiourea, featuring a 2-oxolanyl (tetrahydrofuran) ring linked to a methyl group.
**Importance in Research:**
While I cannot provide specific details about the compound's exact research applications without additional context, the presence of several key structural features suggests its potential importance:
* **Thiourea:** Thiourea derivatives often exhibit pharmacological activities like anti-inflammatory, antibacterial, and antifungal properties.
* **Quinoline:** Quinoline-based compounds are known for their diverse pharmacological properties, including anticancer, anti-malarial, and anti-inflammatory activities.
* **Dioxole:** This ring system is sometimes found in compounds with anti-diabetic, anti-HIV, and anti-inflammatory properties.
**To understand its specific research significance, you'd need more information:**
* **What is the compound being studied for?** Is it a potential drug candidate, a probe molecule, or something else?
* **What research group or institution is investigating it?** Their publications and research interests could provide valuable insights.
* **What are the experimental results obtained so far?** This would be crucial to assess its potential impact.
**To find more information:**
* **Search online databases:** Use the chemical name or structure to search databases like PubChem, ChemSpider, and SciFinder.
* **Check research publications:** Search for publications that mention the compound name or its structural features.
* **Contact experts:** If you have access to researchers in relevant fields, you could reach out to them for more information.
ID Source | ID |
---|---|
PubMed CID | 3175951 |
CHEMBL ID | 1439153 |
CHEBI ID | 116440 |
Synonym |
---|
HMS2631A06 |
ASN 03776209 , |
smr000273255 |
MLS000713774 |
CHEBI:116440 |
AKOS000692286 |
CHEMBL1439153 |
1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5h-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-(2-oxolanylmethyl)thiourea |
Q27199325 |
AKOS030475766 |
1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5h-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea |
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) |
---|---|---|---|---|---|---|---|
acid sphingomyelinase | Homo sapiens (human) | Potency | 25.1189 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 7.3048 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 17.7828 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 100.0000 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 79.4328 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
[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. |
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. |
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. |
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. |
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] |