The compound you described, **1-cyclohexyl-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea**, is a **potent and selective inhibitor of the enzyme HDAC6**.
**HDAC6 (Histone Deacetylase 6)** is a member of the histone deacetylase family of enzymes, which play a crucial role in regulating gene expression by removing acetyl groups from lysine residues on histones and other proteins. HDAC6 is unique among HDACs as it is primarily located in the cytoplasm and is not directly involved in gene regulation. Instead, it plays a role in various cellular processes, including:
* **Protein degradation:** HDAC6 interacts with chaperone proteins like Hsp90 and plays a role in the degradation of misfolded and aggregated proteins via the ubiquitin-proteasome system.
* **Microtubule dynamics:** HDAC6 deacetylates α-tubulin, affecting microtubule stability and dynamics.
* **Cell migration and motility:** HDAC6 influences cell migration by regulating the formation and disassembly of microtubules.
* **Inflammation and immune responses:** HDAC6 is involved in regulating inflammatory processes by modulating the expression of inflammatory cytokines.
**Inhibiting HDAC6** has shown potential in various therapeutic areas, including:
* **Cancer:** HDAC6 inhibition can enhance the degradation of proteins involved in cancer cell survival and proliferation, leading to cell death.
* **Neurodegenerative diseases:** HDAC6 inhibition may promote the clearance of protein aggregates that contribute to diseases like Alzheimer's and Parkinson's.
* **Inflammatory diseases:** HDAC6 inhibition may suppress inflammatory responses by regulating the production of inflammatory mediators.
**The compound you described, due to its potent and selective HDAC6 inhibition**, has significant research value for understanding the role of HDAC6 in various cellular processes and exploring its potential therapeutic applications.
**Important Note:** This is a complex compound with a specific chemical structure. Its exact properties and applications would require detailed research and analysis. The information provided here is a general overview and should not be considered medical advice.
ID Source | ID |
---|---|
PubMed CID | 44202057 |
CHEMBL ID | 1724117 |
CHEBI ID | 94901 |
Synonym |
---|
BRD-K46255814-001-02-3 |
smr001398580 |
MLS002474419 , |
HMS2208N21 |
CHEMBL1724117 |
1-cyclohexyl-3-[(2s,3s)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]urea |
1-cyclohexyl-3-[(2s,3s)-5-[(1r)-2-hydroxy-1-methyl-ethyl]-6-keto-2-[[(4-methoxyphenyl)sulfonyl-methyl-amino]methyl]-3-methyl-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]urea |
bdbm84148 |
cid_44202057 |
1-cyclohexyl-3-[(2s,3s)-2-[[(4-methoxyphenyl)sulfonyl-methyl-amino]methyl]-3-methyl-6-oxidanylidene-5-[(2r)-1-oxidanylpropan-2-yl]-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]urea |
CHEBI:94901 |
Q27166664 |
Class | Description |
---|---|
sulfonamide | An amide of a sulfonic acid RS(=O)2NR'2. |
[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 | 17.7828 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 20.5878 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
USP1 protein, partial | Homo sapiens (human) | Potency | 0.2512 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 27.5110 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 15.8489 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
67.9K protein | Vaccinia virus | Potency | 17.4882 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
geminin | Homo sapiens (human) | Potency | 18.3564 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
[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) |
---|---|---|---|---|---|---|---|
CDR1 | Candida albicans | EC50 (µMol) | 10.4300 | 10.4300 | 10.4300 | 10.4300 | AID623996 |
[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. |
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. |
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] |