You're describing a molecule with the chemical name **2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide**. This is a complex molecule with a long and descriptive name, so let's break it down to understand its significance:
**Breaking Down the Name:**
* **2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl):** This part describes the core structure of the molecule. It's a fused ring system built from a pyrimidine ring (with two nitrogen atoms) and a pyrrole ring (with one nitrogen atom). The 2,4,6-trioxo tells us that there are three carbonyl groups (C=O) at positions 2, 4, and 6 of the pyrimidine ring. The 1,3-dimethyl indicates there are two methyl groups (CH3) attached at positions 1 and 3. The 5,7-dihydropyrrolo refers to the pyrrole ring being partially saturated.
* **-N-(2-methoxyphenyl)acetamide:** This part describes the substituent attached to the core structure. Acetamide indicates an amide group (NHCOCH3), where the carbonyl group is attached to a methyl group. The -N- signifies that the amide group is connected to the core structure through the nitrogen atom. 2-methoxyphenyl indicates a phenyl ring (a six-membered aromatic ring) with a methoxy group (OCH3) attached at the 2nd position.
**Overall, this molecule is a complex derivative of a pyrimidine-pyrrole fused ring system with a substituted acetamide group attached.**
**Importance in Research:**
Unfortunately, without more context, it's impossible to say definitively why this specific molecule is important for research. However, given its chemical structure and the presence of various functional groups, it's likely to have potential applications in:
* **Medicinal chemistry:** The presence of carbonyl groups, aromatic rings, and an amide group suggests it could interact with biological targets and exhibit pharmacological activity. It might be investigated for potential therapeutic uses against diseases like cancer, bacterial infections, or neurological disorders.
* **Material science:** The molecule's rigid structure and potential for hydrogen bonding could make it suitable for use in materials science applications like polymers, coatings, or drug delivery systems.
* **Organic chemistry:** The molecule's complex structure could be investigated for its reactivity, synthesis, and other chemical properties, contributing to the broader understanding of organic chemistry.
**To understand the specific importance of this molecule, you would need to know the context of its research. This could include:**
* **The research group investigating it:** Are they focused on drug discovery, materials science, or fundamental chemical research?
* **The specific goals of the research:** What are they trying to achieve with this molecule?
* **Published studies or patents:** Are there any publications or patents relating to this molecule?
By exploring these aspects, you can gain a clearer understanding of why this molecule is important for research.
ID Source | ID |
---|---|
PubMed CID | 666583 |
CHEMBL ID | 1428380 |
CHEBI ID | 109709 |
Synonym |
---|
smr000037519 |
MLS000080755 , |
STK217355 |
2-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,7-hexahydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)-n-(2-methoxyphenyl)acetamide |
CHEBI:109709 |
AKOS000613825 |
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-n-(2-methoxyphenyl)acetamide |
HMS2161F15 |
HMS3314P16 |
AKOS016161082 |
CHEMBL1428380 |
Q27188925 |
2-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,7-hexahydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)-n~1~-(2-methoxyphenyl)acetamide |
Class | Description |
---|---|
pyrrolopyrimidine | |
[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, HADH2 protein | Homo sapiens (human) | Potency | 31.6228 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 31.6228 | 0.0251 | 20.2376 | 39.8107 | AID893 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 35.4813 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 39.8107 | 3.9811 | 46.7448 | 112.2020 | AID720708 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
guanyl-nucleotide exchange factor activity | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
protein binding | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
cAMP binding | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
protein-macromolecule adaptor activity | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
small GTPase binding | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
cytosol | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
plasma membrane | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
membrane | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
hippocampal mossy fiber to CA3 synapse | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
plasma membrane | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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 | |||
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. |
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. |
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. |
AID1745845 | 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] |
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] |