| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
5-Phenylpentan-2-one targets histone deacetylase enzymes (HDACs), a class of enzymes that remove acetyl groups from histone proteins. HDACs play a crucial role in the regulation of gene expression by modulating chromatin structure. By inhibiting HDACs, 5-Phenylpentan-2-one promotes histone hyperacetylation, leading to chromatin relaxation and increased transcriptional activity. The compound's inhibition of HDACs may contribute to its potential therapeutic effects in urea cycle disorders and other conditions involving epigenetic dysregulation.
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| ln Vitro |
5-Phenylpentan-2-one demonstrates potent in vitro inhibitory activity against histone deacetylase enzymes (HDACs). It has been shown to effectively inhibit HDAC activity, leading to increased histone acetylation. The compound's mechanism involves binding to the active site of HDAC enzymes and preventing the deacetylation of histone substrates. This results in the accumulation of acetylated histones and altered gene expression patterns. 5-Phenylpentan-2-one can be used for urea cycle disorder research, where HDAC inhibition may have therapeutic benefits.
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| ln Vivo |
In vivo studies for 5-Phenylpentan-2-one have not been extensively documented in the available literature. As a potent HDAC inhibitor, it has potential for in vivo applications in the treatment of urea cycle disorders and other conditions involving epigenetic regulation. Studies in appropriate animal models would be needed to evaluate its in vivo efficacy, pharmacokinetics, and safety profile. The compound's small molecule properties (MW 162.23) suggest potential for oral bioavailability and tissue penetration.
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| Enzyme Assay |
For HDAC enzyme inhibition assays, purified HDAC enzymes are incubated with a fluorogenic peptide substrate (e.g., Ac-Lys(Ac)-AMC) and 5-Phenylpentan-2-one at various concentrations. Deacetylase activity is measured by fluorescence increase upon cleavage of the deacetylated substrate by trypsin. IC50 values are calculated from dose-response curves. For cellular assays, cells are treated with the compound and histone acetylation levels are assessed by Western blot using antibodies against acetylated histone H3 or H4.
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| Cell Assay |
For cellular activity studies, appropriate cell lines are cultured in appropriate media and treated with 5-Phenylpentan-2-one at various concentrations for 24-72 hours. HDAC inhibition is assessed by measuring histone acetylation levels by Western blot using specific antibodies against acetylated histone H3 or H4. Cell proliferation is assessed by MTT or BrdU incorporation assays. Gene expression changes are evaluated by qRT-PCR or microarray analysis. For urea cycle disorder research, relevant cell models are used to assess the compound's effects on urea cycle enzyme expression and activity.
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| Animal Protocol |
For in vivo efficacy studies, appropriate animal models of urea cycle disorders or other conditions would be used. 5-Phenylpentan-2-one would be administered orally or intraperitoneally at various doses. Pharmacokinetic parameters including half-life, clearance, and tissue distribution would be determined. For therapeutic applications, efficacy would be evaluated by measuring disease biomarkers, survival, and histological analysis. However, detailed in vivo protocols for 5-Phenylpentan-2-one have not been extensively reported in the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 5-Phenylpentan-2-one have not been fully characterized in the available literature. The compound has a molecular weight of 162.23 and is a small molecule with potential for oral bioavailability. It should be stored at 4°C, protected from light. In solvent, it is stable for 6 months at -80°C or 1 month at -20°C when protected from light. Comprehensive PK studies including bioavailability, half-life, protein binding, and tissue distribution are needed to fully understand its ADME properties.
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| Toxicity/Toxicokinetics |
5-Phenylpentan-2-one is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a potent HDAC inhibitor, it can be used for urea cycle disorder research. Standard laboratory safety precautions should be followed when handling this compound. Storage at 4°C, protected from light, is recommended.
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| References | |
| Additional Infomation |
5-Phenylpentan-2-one is a potent inhibitor of histone deacetylase enzymes (HDACs) with molecular formula C11H14O and molecular weight 162.23. It can be used for urea cycle disorder research. The compound is stored at 4°C, protected from light, and is stable in solvent for 6 months at -80°C or 1 month at -20°C when protected from light. It is for research use only and has not been approved for clinical applications.
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| Molecular Formula |
C11H14O
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| Molecular Weight |
162.23
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| Exact Mass |
162.104
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| CAS # |
2235-83-8
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| PubChem CID |
16701
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.96g/cm3
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| Boiling Point |
261.2ºC at 760mmHg
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| Melting Point |
106-107 °C
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| Flash Point |
121.5ºC
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| Vapour Pressure |
0.0117mmHg at 25°C
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| Index of Refraction |
1.5
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| LogP |
2.598
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
12
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| Complexity |
134
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)CCCC1=CC=CC=C1
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| InChi Key |
DGMYRPFYNFQCHM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H14O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3
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| Chemical Name |
5-phenylpentan-2-one
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : 100 mg/mL (616.41 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.41 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (15.41 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (15.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.1641 mL | 30.8204 mL | 61.6409 mL | |
| 5 mM | 1.2328 mL | 6.1641 mL | 12.3282 mL | |
| 10 mM | 0.6164 mL | 3.0820 mL | 6.1641 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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