The compound you described, **1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-butyl-1-ethylurea**, is a derivative of the **pyrimidine ring system**. It has several important characteristics that make it relevant for research:
**1. Structural Features:**
* **Pyrimidine core:** Pyrimidines are a fundamental building block in nucleic acids (DNA and RNA), where they form the bases cytosine, thymine (in DNA), and uracil (in RNA). This core structure makes the compound potentially interesting for studying interactions with DNA or RNA.
* **Amino group:** The presence of an amino group (NH2) at position 6 can contribute to hydrogen bonding interactions and enhance its potential for binding to biological targets.
* **Phenylmethyl group:** The phenylmethyl (benzyl) group adds a bulky and aromatic component, which can influence its binding affinity and specificity.
* **Substituted urea:** The urea moiety can interact with target proteins through hydrogen bonding and possibly act as a linker for attaching other functional groups.
**2. Potential Applications in Research:**
* **Drug Discovery:** Given its structural features and potential for biological interactions, this compound could be a starting point for developing new drugs with various therapeutic applications.
* **Targeting Biomolecules:** The compound might serve as a tool to probe and understand the interactions of pyrimidines with enzymes, proteins, or nucleic acids. It could be used to:
* **Develop inhibitors:** Target specific enzymes or pathways involved in disease development.
* **Develop probes:** Investigate the binding of pyrimidines to biomolecules and their role in biological processes.
* **Understanding Molecular Mechanisms:** Studying the interaction of this compound with biological systems can provide insights into the role of pyrimidines in cellular processes and potential targets for therapeutic interventions.
**3. Importance for Chemical Research:**
* **Synthesis and Modification:** Synthesizing and modifying this compound can lead to the development of new analogs with enhanced properties (e.g., improved binding affinity or drug efficacy).
* **Structure-Activity Relationship (SAR):** Studying the structure-activity relationship of this compound and its derivatives can help understand the key features responsible for its biological activity and guide the design of more potent and specific molecules.
**It's crucial to note:** The specific importance and potential applications of this compound depend on its actual biological activity, which is not provided in the question. Further research and experimentation are necessary to determine its specific properties and potential applications.
ID Source | ID |
---|---|
PubMed CID | 2103200 |
CHEMBL ID | 1584847 |
CHEBI ID | 120820 |
Synonym |
---|
MLS001033935 |
smr000385821 |
CHEBI:120820 |
1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylurea |
HMS2719C15 |
CHEMBL1584847 |
Q27208963 |
1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-butyl-1-ethylurea |
Z44618088 |
AKOS034356478 |
Class | Description |
---|---|
pyrimidone | A pyrimidine carrying one or more oxo substituents. |
ureas | |
[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) |
---|---|---|---|---|---|---|---|
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
[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. |
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. |
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 | |||
[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] |