The compound you described, 1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea, is a **highly specific and potent inhibitor** of the enzyme **HDAC6**.
**HDAC6 (Histone Deacetylase 6)** is a crucial enzyme involved in a variety of cellular processes, including:
* **Protein deacetylation:** It removes acetyl groups from lysine residues on proteins, affecting their structure, function, and stability.
* **Microtubule dynamics:** HDAC6 regulates the stability and assembly of microtubules, which are essential for cell division, movement, and intracellular transport.
* **Inflammation:** It plays a role in the regulation of inflammatory responses.
* **Neurodegeneration:** Aberrant HDAC6 activity has been implicated in various neurodegenerative diseases, such as Alzheimer's and Parkinson's disease.
**Why is this compound important for research?**
* **Drug development:** As a potent and specific HDAC6 inhibitor, this compound represents a promising lead for the development of novel drugs targeting HDAC6 for therapeutic purposes.
* **Understanding HDAC6 function:** Its high specificity allows researchers to study the specific roles of HDAC6 in various cellular processes and disease models.
* **Disease research:** The compound can be used to investigate the involvement of HDAC6 in various diseases, including cancer, neurodegenerative diseases, and inflammatory conditions.
**Potential Applications in Research and Medicine:**
* **Cancer therapy:** Targeting HDAC6 with this compound could potentially inhibit tumor growth and promote apoptosis (programmed cell death) in cancer cells.
* **Neurodegenerative diseases:** Inhibition of HDAC6 could potentially protect neurons from damage and slow down disease progression in neurodegenerative diseases.
* **Inflammation and autoimmune disorders:** HDAC6 inhibition may help reduce inflammation and improve symptoms in inflammatory and autoimmune conditions.
**Note:** This compound is a research tool and is not yet available for clinical use. Further studies are needed to investigate its safety and efficacy in humans.
ID Source | ID |
---|---|
PubMed CID | 3724708 |
CHEMBL ID | 1611013 |
CHEBI ID | 119872 |
Synonym |
---|
smr000179462 |
n-(4-chlorobenzyl)-n'-(3-fluorophenyl)-n-(3,3,3-trifluoro-2-hydroxypropyl)urea |
MLS000326863 , |
BIONET1_003889 |
CHEBI:119872 |
HMS579O11 |
AKOS005101663 |
1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea |
HMS2304D06 |
REGID_FOR_CID_3724708 |
8P-934 |
478258-84-3 |
CHEMBL1611013 |
1-(4-chlorobenzyl)-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxy-propyl)urea |
1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)-1-[3,3,3-tris(fluoranyl)-2-oxidanyl-propyl]urea |
cid_3724708 |
bdbm67929 |
Q27207471 |
n-[(4-chlorophenyl)methyl]-n'-(3-fluorophenyl)-n-(3,3,3-trifluoro-2-hydroxypropyl)urea |
DTXSID101126080 |
mfcd02082435 |
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) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 0.6310 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 5.6234 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 27.5110 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 11.2202 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
PINK1 | Homo sapiens (human) | Potency | 14.1254 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 3.9811 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
67.9K protein | Vaccinia virus | Potency | 11.9047 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
Parkin | Homo sapiens (human) | Potency | 14.1254 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
IDH1 | Homo sapiens (human) | Potency | 20.5962 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 35.4813 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 125.8920 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 23.3507 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 25.1189 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 19.9526 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 35.4813 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 35.4813 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 35.4813 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
XBP1 | Homo sapiens (human) | IC50 (µMol) | 6.0900 | 0.1600 | 5.4049 | 10.0000 | AID504313 |
DNA damage-inducible transcript 3 protein | Mus musculus (house mouse) | IC50 (µMol) | 3.5800 | 0.1600 | 3.9959 | 10.0000 | AID504322 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
RNA polymerase II cis-regulatory region sequence-specific DNA binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
DNA binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
double-stranded DNA binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
RNA binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
mRNA 3'-UTR binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
protein binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
lipid binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
identical protein binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
pre-mRNA intronic binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
molecular condensate scaffold activity | TAR DNA-binding protein 43 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
intracellular non-membrane-bounded organelle | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleus | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
perichromatin fibrils | TAR DNA-binding protein 43 | Homo sapiens (human) |
mitochondrion | TAR DNA-binding protein 43 | Homo sapiens (human) |
cytoplasmic stress granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nuclear speck | TAR DNA-binding protein 43 | Homo sapiens (human) |
interchromatin granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
chromatin | TAR DNA-binding protein 43 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
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. |
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. |
[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] |