You've described a very specific chemical compound with a complex name: **1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea**. This compound is a **highly specific and potent inhibitor of the enzyme histone deacetylase 6 (HDAC6)**.
Here's a breakdown of why it's important for research:
**1. Understanding HDAC6's Role:**
* **HDAC6** is an enzyme that plays a crucial role in the regulation of gene expression and cellular processes.
* It removes acetyl groups from proteins, particularly in the cytoplasm, and is known to be involved in a variety of cellular functions, including:
* **Protein turnover:** Degrades misfolded proteins, potentially protecting cells from stress.
* **Inflammation:** Regulates inflammatory pathways.
* **Cancer:** Contributes to tumor growth and progression.
* **Neurodegeneration:** Influences neuronal survival and function.
**2. Targeting HDAC6 with Inhibitors:**
* **Inhibiting HDAC6** can potentially modulate these cellular processes and offer therapeutic benefits for a wide range of diseases.
* **This specific compound** has been shown to be a highly potent and selective inhibitor of HDAC6, meaning it specifically targets HDAC6 and avoids interfering with other enzymes in the body.
**3. Research Applications:**
* **Cancer research:** Investigating the compound's potential to stop tumor growth, improve cancer therapy, and even prevent cancer recurrence.
* **Neurodegenerative disease research:** Exploring its potential to protect neurons from damage and potentially slow down the progression of diseases like Alzheimer's and Parkinson's.
* **Inflammation research:** Studying its ability to reduce inflammation in various conditions, potentially leading to new therapies for inflammatory diseases.
**4. Drug Development:**
* **This compound** serves as a lead molecule for the development of new drugs that target HDAC6, offering a promising approach to treating a diverse range of diseases.
**Overall:**
The specific compound you mentioned is a significant discovery in the field of HDAC6 research. Its unique properties make it a valuable tool for understanding the role of HDAC6 in various biological processes and for developing novel therapies for a wide range of diseases.
ID Source | ID |
---|---|
PubMed CID | 44202899 |
CHEMBL ID | 1729592 |
CHEBI ID | 111802 |
Synonym |
---|
BRD-K58751650-001-02-3 |
CHEBI:111802 |
MLS002474243 |
smr001398404 |
HMS2228D10 |
CHEMBL1729592 |
1-[[(2s,3s)-10-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea |
Q27191500 |
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 | 25.1189 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
chaperonin-containing TCP-1 beta subunit homolog | Homo sapiens (human) | Potency | 3.9811 | 3.9811 | 27.7649 | 39.8107 | AID504842 |
TDP1 protein | Homo sapiens (human) | Potency | 26.1011 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
isocitrate dehydrogenase 1, partial | Homo sapiens (human) | Potency | 44.6684 | 6.3096 | 27.0990 | 79.4328 | AID602179 |
67.9K protein | Vaccinia virus | Potency | 8.9125 | 0.0001 | 8.4406 | 100.0000 | AID720580 |
[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) |
---|---|---|---|---|---|---|---|
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | Plasmodium berghei | IC50 (µMol) | 55.0167 | 0.8890 | 21.0286 | 71.5000 | AID504765; AID540252; AID540269 |
glucose-6-phosphate 1-dehydrogenase isoform b | Homo sapiens (human) | IC50 (µMol) | 80.0000 | 8.8700 | 12.8518 | 17.8000 | AID504792 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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 | |||
AID1745845 | 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. |
[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] |