Page last updated: 2024-12-10

1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione

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

The compound you described, **1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione**, is a complex organic molecule with a long and somewhat unwieldy name. To understand its importance, we need to break it down and analyze its structure:

* **Purine-2,6-dione:** This is the core structure of the molecule, also known as **xanthine**. Xanthine is a naturally occurring compound found in DNA and RNA, and it plays a role in purine metabolism.
* **Substitutions:** The core xanthine structure is modified by various substituents:
* **1,3-dimethyl:** This indicates two methyl groups are attached at positions 1 and 3 on the purine ring.
* **8-[methyl-(phenylmethyl)amino]:** This describes a complex side chain attached at position 8. It consists of a methyl group and a benzyl group (phenylmethyl) connected to an amino group.
* **7-[2-(2-pyrimidinylthio)ethyl]:** This indicates another side chain at position 7, containing a pyrimidine ring connected via a sulfur atom to an ethyl group.

This complex structure is likely **designed for a specific biological purpose**, potentially as a drug candidate. Here are some reasons why this compound might be important for research:

* **Targeting specific receptors:** The unique structure could allow the compound to bind to specific receptors or enzymes within the body. This is a common strategy for developing drugs that can modulate certain biological processes.
* **Modulating cell signaling:** The molecule might interfere with or enhance cellular signaling pathways. This could have implications for treating diseases like cancer, inflammation, or neurological disorders.
* **Antiviral activity:** The presence of the pyrimidine ring could indicate an antiviral effect. Pyrimidine derivatives are known to inhibit the replication of certain viruses.
* **Therapeutic potential:** Overall, the complex structure of this compound suggests it might possess interesting biological activity, making it a potential candidate for therapeutic research.

**However, without further information, it's impossible to definitively determine the specific reason for its importance in research.** To understand its true significance, we would need additional context, such as:

* **The source of the compound:** Was it synthesized in a laboratory or isolated from a natural source?
* **The research goals:** What is the specific research question or hypothesis that this compound is being used to investigate?
* **Experimental results:** What are the observed effects of the compound on biological systems?

**In conclusion:** This compound is a complex organic molecule with a unique structure that could have significant implications for research, potentially as a drug candidate. However, without further information, its specific importance remains unknown.

Cross-References

ID SourceID
PubMed CID2992148
CHEMBL ID1558776
CHEBI ID116982

Synonyms (17)

Synonym
UPCMLD0ENAT5730958:001
smr000015965
MLS000101190
CHEBI:116982
8-[benzyl(methyl)amino]-1,3-dimethyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-1h-purine-2,6-dione
STK851867
AB00433781-04
AKOS001297353
8-[benzyl(methyl)amino]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
HMS2243C19
8-(benzyl(methyl)amino)-1,3-dimethyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1h-purine-2,6(3h,7h)-dione
839680-99-8
F0570-0434
CHEMBL1558776
Q27203602
1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione
Z223814038
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
oxopurine
[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 (10)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency7.94330.044717.8581100.0000AID485294
Chain A, HADH2 proteinHomo sapiens (human)Potency25.11890.025120.237639.8107AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency25.11890.025120.237639.8107AID893
ATAD5 protein, partialHomo sapiens (human)Potency20.59620.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency20.73290.000811.382244.6684AID686978; AID686979
P53Homo sapiens (human)Potency2.51190.07319.685831.6228AID504706
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency89.12510.035520.977089.1251AID504332
huntingtin isoform 2Homo sapiens (human)Potency1.12200.000618.41981,122.0200AID1688
gemininHomo sapiens (human)Potency16.36010.004611.374133.4983AID624297
Guanine nucleotide-binding protein GHomo sapiens (human)Potency4.46681.995325.532750.1187AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (15)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's4 (57.14)24.3611
2020's2 (28.57)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]