Page last updated: 2024-12-09

1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-butyl-1-ethylurea

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-[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.

Cross-References

ID SourceID
PubMed CID2103200
CHEMBL ID1584847
CHEBI ID120820

Synonyms (10)

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

Drug Classes (2)

ClassDescription
pyrimidoneA 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 Targets (1)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability 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]

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]