1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea is a chemical compound that has been studied for its potential biological activity, specifically as a **histone deacetylase (HDAC) inhibitor**.
Here's a breakdown of its structure and significance:
**Structure:**
* **1-(3-acetylphenyl):** This part of the molecule refers to a phenyl ring (benzene ring) with an acetyl group (CH3CO-) attached at the 3rd position.
* **3-(2-pyridinylmethyl):** This indicates a 2-pyridinylmethyl group attached to the 3rd position of the urea molecule.
* **Urea:** This is the central core of the compound, a simple organic molecule with the formula (NH2)2CO.
**Significance in Research:**
HDAC inhibitors are a class of drugs that can potentially treat cancer and other diseases. They work by inhibiting the activity of histone deacetylases, enzymes that remove acetyl groups from histone proteins.
* **Histone acetylation:** This process is crucial for regulating gene expression, and by altering it, HDAC inhibitors can influence cellular processes like cell growth, differentiation, and apoptosis (programmed cell death).
**Why 1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea is Important:**
* **Potential Anti-cancer Activity:** The compound has shown promising results in preclinical studies, demonstrating its potential as a new anti-cancer agent.
* **Target Specificity:** Researchers are interested in its selectivity for specific HDAC isoforms. HDAC inhibitors with target specificity could potentially minimize unwanted side effects.
* **New Drug Development:** It acts as a lead compound for the development of more potent and selective HDAC inhibitors.
**Important Note:** While this compound has shown potential in research, it is still in the early stages of development. More research is needed to determine its safety and efficacy in humans.
ID Source | ID |
---|---|
PubMed CID | 972071 |
CHEMBL ID | 1335952 |
CHEBI ID | 114886 |
Synonym |
---|
n-(3-acetylphenyl)-n'-(2-pyridinylmethyl)urea |
MLS000050133 , |
smr000077222 |
CHEBI:114886 |
1-(3-acetylphenyl)-3-(pyridin-2-ylmethyl)urea |
AKOS003353708 |
HMS2446B03 |
CHEMBL1335952 |
STL504146 |
Q27196729 |
1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea |
sr-01000279537 |
SR-01000279537-1 |
Class | Description |
---|---|
aromatic ketone | A ketone in which the carbonyl group is attached to an aromatic ring. |
[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) |
---|---|---|---|---|---|---|---|
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 9.5283 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
BRCA1 | Homo sapiens (human) | Potency | 2.2387 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 10.2101 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 9.4662 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
PINK1 | Homo sapiens (human) | Potency | 11.2202 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 31.6228 | 0.0013 | 18.0743 | 39.8107 | AID926 |
Parkin | Homo sapiens (human) | Potency | 11.2202 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
P53 | Homo sapiens (human) | Potency | 12.5893 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 3.5481 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 100.0000 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 2.8184 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.1623 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 19.1499 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 15.8489 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1745845 | 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. |
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. |
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 | |||
[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] |
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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |