Page last updated: 2024-12-09

1-[1-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.

Cross-References

ID SourceID
PubMed CID1316596
CHEMBL ID1794113
CHEBI ID120540

Synonyms (12)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
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 Targets (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
GLS proteinHomo sapiens (human)Potency25.11890.35487.935539.8107AID624170
67.9K proteinVaccinia virusPotency10.00000.00018.4406100.0000AID720579
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]