The compound you described, **1-[1-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone**, is a complex organic molecule. It is likely a synthetic compound, as the structure is not typical of naturally occurring molecules.
To understand its potential importance for research, we need to break down its structure and look at its potential properties:
**Structure Analysis:**
* **Core:** The core of the molecule is a pyrimidine ring with a sulfur atom attached at position 2. This structural motif is common in many biologically active compounds, including some drugs.
* **Substituents:** The pyrimidine ring has several substituents:
* An ethyl group at position 1.
* A 4-(4-fluorophenyl)-1-piperazinyl group at position 4.
* A methyl group at position 6.
* An acetyl group (ethanone) at position 5.
**Potential Properties and Research Applications:**
Based on the structure, this compound could have interesting biological activity:
* **Potential Drug Target:** The piperazine ring and the fluorophenyl group are common features in compounds targeting various neurological receptors. This compound could potentially interact with receptors involved in conditions like anxiety, depression, or epilepsy.
* **Anti-inflammatory Activity:** The sulfur atom in the pyrimidine ring is known to be involved in modulating inflammation in some molecules.
* **Anti-cancer Activity:** Some pyrimidine derivatives have demonstrated anti-cancer activity. The combination of substituents in this molecule could lead to potential activity against certain cancer cells.
**Importance for Research:**
1. **Understanding the Structure-Activity Relationship:** Studying this compound could help researchers understand the relationship between the structure of molecules and their biological activity.
2. **Developing Novel Drugs:** Researchers could further modify this compound's structure to improve its potency, selectivity, and pharmacokinetic properties, potentially leading to the development of new drugs for various diseases.
3. **Investigating Biological Pathways:** The molecule could be used as a tool to investigate the specific biological pathways and targets it affects, providing valuable insights into cellular processes.
**Important Note:**
* This compound is a hypothetical structure, and its actual properties and importance need to be determined through experimental research.
* Without further context, it's impossible to know definitively why this specific compound might be of particular interest for research.
To determine the compound's true significance, researchers would need to conduct various experiments, including:
* **Synthesis:** Synthesizing the compound in the lab to confirm its structure and stability.
* **Biological Activity Testing:** Evaluating its interactions with various biological targets, including receptors, enzymes, and cell lines.
* **Pharmacokinetic Studies:** Determining how it is absorbed, distributed, metabolized, and excreted in the body.
This process can take time and resources, and the results may not always lead to a successful drug development program.
ID Source | ID |
---|---|
PubMed CID | 1316596 |
CHEMBL ID | 1794113 |
CHEBI ID | 120540 |
Synonym |
---|
1-{1-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl}ethanone |
smr000142957 |
MLS000535522 , |
CHEBI:120540 |
AKOS001682102 |
mfcd03869214 |
1-{1-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl}ethan-1-one |
1-[1-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-2-sulfanylidenepyrimidin-5-yl]ethanone |
HMS2334C09 |
CHEMBL1794113 |
1-[1-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone |
Q27208460 |
Class | Description |
---|---|
piperazines | |
[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) |
---|---|---|---|---|---|---|---|
GLS protein | Homo sapiens (human) | Potency | 25.1189 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
67.9K protein | Vaccinia virus | Potency | 10.0000 | 0.0001 | 8.4406 | 100.0000 | AID720579 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
[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] |