1-[2-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea, often referred to as **compound X** for simplicity, is a complex organic molecule with a specific chemical structure that has garnered interest in research due to its potential biological activities.
Here's a breakdown of the molecule and its significance:
**Structure:**
* **Core:** The molecule is built around a 1,3,5-triazine ring, which has three nitrogen atoms alternating with carbon atoms.
* **Substituents:**
* Two morpholine groups (cyclic amines) are attached to the 4 and 6 positions of the triazine ring.
* An ethoxy group (O-CH2-CH3) is linked to the 2 position of the triazine ring.
* A phenylurea moiety (C6H5NHCONH-) is attached to the ethoxy group.
**Potential Importance in Research:**
While specific information on compound X might be limited without further context, its structure suggests potential applications in:
* **Pharmaceutical Research:** The presence of morpholine and phenylurea groups is common in molecules with pharmacological properties.
* **Anti-inflammatory activity:** Morpholine derivatives have been associated with anti-inflammatory properties.
* **Anti-cancer activity:** Phenylureas can exhibit cytotoxic effects against cancer cells.
* **Materials Science:** The triazine ring is known for its ability to form polymers and networks, which might be relevant in developing new materials.
* **Agricultural Research:** Triazine-based compounds often have herbicidal activity, potentially making compound X useful for weed control.
**Importance for Research:**
* **Lead Compound Identification:** Compound X could serve as a lead compound in drug discovery, prompting further investigations to understand its potential activity and optimize its properties.
* **Mechanism of Action:** Researchers might study how compound X interacts with biological targets to gain insights into its mode of action.
* **Structure-Activity Relationship (SAR):** Analyzing variations in the structure of compound X can reveal which functional groups contribute most to its desired activity.
**Note:** It's essential to emphasize that compound X is a theoretical molecule, and its specific properties and applications need further investigation and experimental validation.
ID Source | ID |
---|---|
PubMed CID | 2937420 |
CHEMBL ID | 1508885 |
CHEBI ID | 122187 |
Synonym |
---|
n-{2-[(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]ethyl}-n'-phenylurea |
MLS000535160 |
smr000142596 |
CHEBI:122187 |
HMS1633N03 |
3-(2-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-1-phenylurea |
AKOS001520450 |
mfcd03720258 |
MLS002541519 |
1-(2-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-3-phenylurea |
STK974387 |
1-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea |
HMS2340A22 |
CHEMBL1508885 |
AB00316840-09 |
1-[2-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea |
Q27210836 |
SR-01000260305-1 |
sr-01000260305 |
Class | Description |
---|---|
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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 1.2589 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 35.4813 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 28.1838 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
[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 | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.20) All Compounds (24.57) |
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] |