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.
ID Source | ID |
---|---|
PubMed CID | 2992148 |
CHEMBL ID | 1558776 |
CHEBI ID | 116982 |
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 |
Class | Description |
---|---|
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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 7.9433 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 25.1189 | 0.0251 | 20.2376 | 39.8107 | AID893 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 20.7329 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
P53 | Homo sapiens (human) | Potency | 2.5119 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 89.1251 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 1.1220 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
geminin | Homo sapiens (human) | Potency | 16.3601 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 4.4668 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID1745845 | 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. |
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. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
AID1794808 | Fluorescence-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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (14.29) | 29.6817 |
2010's | 4 (57.14) | 24.3611 |
2020's | 2 (28.57) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |