Let's break down the compound [3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide and its potential research significance.
**Understanding the Structure**
* **Triazine Core:** The core of the molecule is a triazine ring. This is a six-membered heterocyclic ring containing three nitrogen atoms.
* **Substituents:**
* **Phenylmethyl (Benzyl):** A phenyl group (C6H5) attached to a methylene (CH2) group. This is attached to the triazine ring at the position 3.
* **Dihydro:** The presence of dihydro means the triazine ring has two hydrogen atoms attached, indicating two double bonds are replaced with single bonds, resulting in a partially saturated ring.
* **1H:** This indicates that there's a hydrogen atom attached to the nitrogen at position 1 of the ring.
* **Cyanamide:** This is a functional group with the formula -NCN. In this case, it's attached to the nitrogen at position 6 of the triazine ring.
**Potential Research Significance**
This specific compound, due to its structure, might be of interest in various fields:
* **Medicinal Chemistry:**
* **Pharmacological Activity:** Triazines are known to exhibit a wide range of biological activities, including anti-cancer, anti-inflammatory, and antimicrobial properties. The specific arrangement of substituents on this triazine could potentially lead to new drugs with improved activity or a unique pharmacological profile.
* **Drug Delivery:** The benzyl group might act as a carrier or linker, allowing the molecule to be attached to other drugs or biomolecules for targeted drug delivery.
* **Materials Science:**
* **Polymers:** Triazines can form polymers. This specific compound could be a monomer for creating novel polymers with potential applications in electronics, coatings, or adhesives.
* **Organic Electronics:** The presence of the cyanamide group might contribute to the molecule's conductivity, making it potentially useful for organic electronic devices.
**Important Notes:**
* **Novelty:** This specific compound might be a novel molecule, not previously described in the literature.
* **Experimental Data:** The potential research value of this compound would require extensive experimental studies to determine its actual properties and applications.
* **Safety:** It's crucial to conduct thorough safety testing and hazard assessments before using this compound in research or any other application.
**To gain a more specific understanding of the potential research significance, you would need to know:**
* **The exact context in which the compound is being researched.**
* **The specific properties that are being investigated.**
* **The research goals and objectives.**
This information would be found in scientific publications or research projects that focus on this particular compound.
ID Source | ID |
---|---|
PubMed CID | 944503 |
CHEMBL ID | 1466451 |
CHEBI ID | 114882 |
SCHEMBL ID | 9563656 |
Synonym |
---|
HMS1696K06 |
MLS000056285 |
smr000068273 |
(5-benzyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)cyanamide |
STK202871 |
CHEBI:114882 |
AKOS000270197 |
(3-benzyl-2,4-dihydro-1h-1,3,5-triazin-6-yl)cyanamide |
HMS2360A21 |
CHEMBL1466451 |
SCHEMBL9563656 |
Q27196725 |
[3-(phenylmethyl)-2,4-dihydro-1h-1,3,5-triazin-6-yl]cyanamide |
SR-01000325033-1 |
sr-01000325033 |
way-645010 |
n-(5-benzyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)cyanamide |
Class | Description |
---|---|
aralkylamine | An alkylamine in which the alkyl group is substituted by an aromatic group. |
[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) |
---|---|---|---|---|---|---|---|
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0398 | 16.7842 | 39.8107 | AID995 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 28.1838 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 50.1187 | 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 |
---|---|---|---|---|
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 | |||
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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] |