You're describing a chemical compound, likely a small molecule, with a rather complex structure. Let's break down its components and why it might be important for research:
**Understanding the Chemical Structure**
* **1-(2-furanylmethyl)-:** This part indicates a furfuryl group (a furan ring with a CH2 attached) is linked to the nitrogen atom on position 1 of the pyrrolidine ring.
* **N-[2-(methylthio)-1,3-benzothiazol-6-yl]-:** This refers to a benzothiazole ring (fused benzene and thiazole rings) with a methylthio group (SCH3) at position 2 and a nitrogen at position 6. This benzothiazole group is directly attached to the nitrogen atom of the pyrrolidine ring.
* **5-oxo-3-pyrrolidinecarboxamide:** This indicates a pyrrolidine ring (five-membered ring with nitrogen) with a ketone group (C=O) at position 5 and a carboxamide group (CONH2) at position 3.
**Importance in Research**
Given the chemical structure, this compound is likely a **potential drug candidate** or a **probe molecule** for biological research. Here's why:
* **Heterocyclic Rings:** The presence of multiple heterocyclic rings (furan, benzothiazole, pyrrolidine) with different functional groups suggests this molecule could interact with biological targets like enzymes or receptors.
* **Pharmacophore Elements:** The methylthio, carboxamide, and ketone groups are known to be pharmacophore elements, meaning they contribute to the molecule's ability to bind to specific proteins or other biological molecules.
* **Potential Biological Activities:** This compound could potentially exhibit various biological activities, including:
* **Antimicrobial:** The benzothiazole ring is known to be a key structural motif for antibacterial agents.
* **Anti-inflammatory:** The presence of a ketone and carboxamide group suggests possible anti-inflammatory activity.
* **Enzyme Inhibition:** The specific arrangement of functional groups could allow this molecule to bind to and inhibit certain enzymes.
* **Other Activities:** This molecule might have other yet unknown biological activities depending on its interaction with various biological systems.
**To learn more about the importance of this compound, you'll need to:**
1. **Search for its CAS number (Chemical Abstracts Service Registry Number):** This will allow you to find specific information on its potential applications.
2. **Look up publications:** Search in scientific databases like PubMed or Google Scholar for research papers that mention this compound. This will provide context about its potential use in specific fields.
Remember, the specific importance of this compound depends on its biological activity, which is usually determined through experimental studies.
ID Source | ID |
---|---|
PubMed CID | 2998718 |
CHEMBL ID | 1504033 |
CHEBI ID | 112741 |
Synonym |
---|
HMS1755K03 |
smr000067002 |
MLS000098299 , |
CHEBI:112741 |
MLS002635581 |
1-(furan-2-ylmethyl)-n-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide |
HMS2328E17 |
CHEMBL1504033 |
sr-01000053369 |
SR-01000053369-1 |
1-(furan-2-ylmethyl)-n-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide |
1-(2-furfuryl)-5-keto-n-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrrolidine-3-carboxamide |
cid_2998718 |
1-(2-furanylmethyl)-n-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-pyrrolidinecarboxamide |
bdbm47560 |
Q27192857 |
Z28339996 |
Class | Description |
---|---|
benzothiazoles | |
[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) |
---|---|---|---|---|---|---|---|
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 50.1187 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 31.6228 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 39.8107 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 19.9526 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 56.2341 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 79.4328 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
[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) |
---|---|---|---|---|---|---|---|
glutathione S-transferase, partial | Homo sapiens (human) | EC50 (µMol) | 46.8700 | 1.5120 | 15.6244 | 46.8700 | AID1769 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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 | |||
AID651635 | Viability Counterscreen for 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. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
[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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |