The compound you've described, **1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione**, is a complex organic molecule with a rather long and descriptive name.
While the name itself is quite detailed, it doesn't tell us much about its potential properties or uses. To understand its importance for research, we need to break down its structure and potential applications:
**Understanding the Structure:**
* **Pyrimidine core:** This is a fundamental ring structure found in many biologically important molecules like DNA and RNA.
* **Pyrano[4,3-d]pyrimidine:** This indicates a fused ring system where a pyran ring (containing oxygen) is attached to the pyrimidine core.
* **Substituents:** The molecule has various substituents attached to the ring system:
* **7,7-dimethyl:** Two methyl groups (CH3) attached at the 7th position.
* **2-(4-methylphenyl):** A phenyl ring (benzene ring) with a methyl group attached at the 4th position, connected to the pyrimidine ring at the 2nd position.
* **1-[2-(diethylamino)ethyl]:** An ethyl group (CH2CH3) with a diethylamine group (N(CH2CH3)2) attached, connected to the pyrimidine ring at the 1st position.
* **4-thione:** A sulfur atom replacing the oxygen in the carbonyl group at the 4th position.
**Potential Applications:**
Based on its structural features, this compound might be interesting for research in several areas:
* **Pharmacology:**
* **Targeting receptors:** The pyrimidine core and its substituents could potentially bind to various biological receptors in the body.
* **Modulating cell signaling:** The compound might be able to alter signaling pathways involved in various cellular processes.
* **Antimicrobial activity:** The presence of a sulfur atom (thione) might confer antimicrobial properties.
* **Material science:**
* **Organic electronics:** The complex structure might be useful for developing organic semiconductors or light-emitting materials.
**Importance for Research:**
The compound's importance for research lies in its potential to:
* **Discover new drugs:** Its pharmacological activity could lead to the development of new drugs for various diseases.
* **Understand biological processes:** Studying its interaction with biological targets could shed light on complex cellular mechanisms.
* **Develop novel materials:** Its unique structure could pave the way for creating new materials with desired properties.
**To definitively determine the compound's importance and specific research applications, further investigation is required.** This would include synthesis, biological testing, and characterization of its properties.
**Note:** This explanation is based on the structural features of the compound. It's crucial to remember that the specific properties and applications of a compound depend on a multitude of factors, and further research is always needed to fully understand its potential.
ID Source | ID |
---|---|
PubMed CID | 2005759 |
CHEMBL ID | 1438373 |
CHEBI ID | 114605 |
Synonym |
---|
smr000434890 |
MLS000332246 |
1-(2-diethylamino-ethyl)-7,7-dimethyl-2-p-tolyl-1,5,7,8-tetrahydro-pyrano[4,3-d]pyrimidine-4-thione |
CHEBI:114605 |
AKOS001686570 |
STK555646 |
1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-1,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidine-4-thione |
HMS2797M06 |
CHEMBL1438373 |
Q27196009 |
1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione |
sr-01000115779 |
SR-01000115779-1 |
Class | Description |
---|---|
oxacycle | Any organic heterocyclic compound containing at least one ring oxygen atom. |
organic heterobicyclic compound | |
organonitrogen heterocyclic compound | Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. |
[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) |
---|---|---|---|---|---|---|---|
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 19.9526 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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 | |||
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. |
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] |