The compound you provided, **1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione**, is a complex organic molecule with a long and somewhat intimidating name. This molecule is likely a synthetic compound, and without more context, it's impossible to say definitively what its specific research applications might be. However, we can break down its structure and potential functionalities to make some educated guesses:
**Structure Analysis:**
* **1,3-diazinane-2,4,6-trione:** This core structure indicates a heterocyclic ring system with three carbonyl groups (ketones). This type of structure is often found in compounds with biological activity, such as barbiturates.
* **Dimethyl:** Two methyl groups are attached to the ring. This modification could alter the compound's properties like solubility and lipophilicity, influencing its interaction with biological systems.
* **[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene:** This side chain includes a phenyl ring (benzene) with a nitro group and an ether linkage, suggesting potential for interaction with enzymes or receptors through hydrogen bonding and electrostatic interactions.
**Potential Research Significance:**
Based on the structure, this compound could potentially be investigated for:
* **Pharmacological activity:** Its structure suggests it could be a potential drug candidate due to its heterocyclic core and functional groups. It might exhibit activity against certain biological targets, including enzymes, receptors, or bacterial or fungal cells.
* **Material science applications:** The presence of aromatic rings and electron-withdrawing groups could make this compound useful for developing new materials with specific properties, such as conductive polymers or organic semiconductors.
* **As a probe molecule:** The complex structure could be modified to create fluorescent probes or radiolabeled molecules for studying specific biological processes.
**Important Note:** To understand the real significance of this compound, you need more context. You'd need to know the specific research area, the intended target, and the experimental findings.
**In summary, without additional information, the importance of this compound for research can only be speculated upon. Its complex structure suggests potential biological activity or applications in materials science. However, further investigation and experimentation are necessary to determine its true significance.**
ID Source | ID |
---|---|
PubMed CID | 2293952 |
CHEMBL ID | 1518925 |
CHEBI ID | 111291 |
Synonym |
---|
HMS2646H04 |
CHEMDIVAM_000178 |
MLS000723566 |
1,3-dimethyl-5-{2-[2-(4-nitrophenoxy)ethoxy]benzylidene}pyrimidine-2,4,6(1h,3h,5h)-trione |
smr000305161 |
CHEMDIV1_003362 , |
STK070692 |
CHEBI:111291 |
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione |
HMS596I18 |
AKOS001627921 |
CHEMBL1518925 |
Q27190908 |
1,3-dimethyl-5-({2-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione |
Class | Description |
---|---|
C-nitro compound | A nitro compound having the nitro group (-NO2) attached to a carbon atom. |
aromatic ether | Any ether in which the oxygen is attached to at least one aryl substituent. |
[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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 70.7946 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 31.6228 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 21.3313 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 11.2202 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 70.7946 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
USP1 protein, partial | Homo sapiens (human) | Potency | 7.0795 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 26.1011 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 13.8914 | 0.1800 | 13.5574 | 39.8107 | AID1460; AID1468 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 3.5481 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
hypothetical protein, conserved | Trypanosoma brucei | Potency | 44.6684 | 0.2239 | 11.2451 | 35.4813 | AID624173 |
regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 70.7946 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 50.1187 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
IDH1 | Homo sapiens (human) | Potency | 12.9953 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 10.0000 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 56.2341 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 2.9935 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 35.4813 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 31.6228 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
geminin | Homo sapiens (human) | Potency | 24.8446 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 0.0050 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
Alpha-synuclein | Homo sapiens (human) | Potency | 35.4813 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 2.8184 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
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. |
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. |
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 | |||
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. |
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] |
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] |