The compound **[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione** is a complex organic molecule with a unique structure. It's important to understand that while we can describe the structure and potential applications based on its chemical features, **there's no readily available information on this specific compound's research significance.**
Here's a breakdown of why this is the case and what we can infer about its potential based on its structure:
**Structure and Potential Applications:**
* **Thioamide Functionality:** The presence of the methanethione group (-C(=S)-N-) suggests this molecule could potentially act as a:
* **Ligand:** It might bind to specific proteins or receptors in a similar way to other thioamides, which are known to interact with various biological targets.
* **Pro-drug:** This functionality could be a masked form of a bioactive molecule, activated by enzymatic or chemical processes in the body.
* **Aromatic Structure:** The phenyl rings and the methoxy group contribute to the overall hydrophobicity of the molecule. This could influence its:
* **Membrane Permeability:** The molecule might be able to cross cell membranes more readily than hydrophilic compounds.
* **Target Binding:** Hydrophobic interactions can play a role in protein-ligand interactions.
* **Fluorine Substitution:** The presence of a fluorine atom can:
* **Increase Stability:** Fluorine can increase metabolic stability and potentially improve drug-like properties.
* **Alter Binding Affinity:** The fluorine atom's electronegativity can influence the molecule's interactions with specific targets.
**Lack of Specific Research:**
The absence of readily available information about this specific compound's research significance likely stems from a few factors:
* **Novelty:** It's possible this molecule has been synthesized recently, and its properties are still being investigated.
* **Specificity:** It might be used in a highly specialized area of research, not widely disseminated in public databases.
* **Limited Research:** Perhaps this compound has been investigated but hasn't yielded significant results to warrant widespread attention.
**What to Do:**
To learn more about this specific compound's importance for research, you could:
* **Search Specialized Databases:** Consult chemical databases focused on specific areas like medicinal chemistry, pharmacology, or materials science.
* **Contact Experts:** Reach out to researchers in fields relevant to the compound's structure (e.g., organic chemistry, medicinal chemistry, protein biochemistry).
* **Explore Literature:** Search academic journals and databases for research papers mentioning this compound or related analogs.
Remember, without further information, we can only speculate about its significance. However, the unique structural features of this compound suggest it might hold interesting potential in various research areas.
ID Source | ID |
---|---|
PubMed CID | 800252 |
CHEMBL ID | 1613216 |
CHEBI ID | 121886 |
Synonym |
---|
MLS-0344068.0002 |
1-({4-[(2-fluorobenzyl)oxy]phenyl}carbonothioyl)pyrrolidine |
smr000497279 |
MLS001163353 , |
OPREA1_143142 |
CHEBI:121886 |
AKOS005166423 |
[4-[(2-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione |
HMS2823C13 |
BRD-K21786986-001-07-7 |
[4-(2-fluorobenzyl)oxyphenyl]-pyrrolidino-methanethione |
[4-[(2-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-yl-methanethione |
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione |
bdbm76621 |
cid_800252 |
STL420213 |
{4-[(2-fluorobenzyl)oxy]phenyl}(pyrrolidin-1-yl)methanethione |
CHEMBL1613216 |
Q27210493 |
Class | Description |
---|---|
aromatic ether | Any ether in which the oxygen is attached to at least one aryl substituent. |
[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, Ferritin light chain | Equus caballus (horse) | Potency | 12.5893 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 16.9441 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 15.8489 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
BRCA1 | Homo sapiens (human) | Potency | 11.2202 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 15.4643 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 23.7246 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 25.1189 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 7.0795 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 1.7783 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
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 | 2.5119 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 50.1187 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 5.6234 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[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) |
---|---|---|---|---|---|---|---|
SUMO-1-specific protease | Homo sapiens (human) | IC50 (µMol) | 9.1350 | 0.8050 | 19.3461 | 87.7000 | AID488921; AID504492 |
SUMO1/sentrin specific peptidase 7 | Homo sapiens (human) | IC50 (µMol) | 6.2700 | 1.6400 | 7.2648 | 23.9000 | AID488904; AID504497 |
caspase-3 isoform a preproprotein | Homo sapiens (human) | IC50 (µMol) | 5.3660 | 0.0256 | 20.3235 | 74.3000 | AID488901; AID504488 |
sentrin-specific protease 8 | Homo sapiens (human) | IC50 (µMol) | 2.3800 | 0.0408 | 18.9292 | 94.8000 | AID488903; AID504501 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
intracellular non-membrane-bounded organelle | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleus | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
perichromatin fibrils | TAR DNA-binding protein 43 | Homo sapiens (human) |
mitochondrion | TAR DNA-binding protein 43 | Homo sapiens (human) |
cytoplasmic stress granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nuclear speck | TAR DNA-binding protein 43 | Homo sapiens (human) |
interchromatin granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
chromatin | TAR DNA-binding protein 43 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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 | |||
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] |