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5-Phenylpentan-2-one

CAT: 0804-HY-145613-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145613-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-Phenylpentan-2-one is a potent histone deacetylases (HDACs) inhibitor. 5-Phenylpentan-2-one can be used for urea cycle disorder research[1][2].
CAS Number
2235-83-8
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/5-phenylpentan-2-one.html
Concentration
10mM
Purity
99.81
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC(CCCC1=CC=CC=C1)=O
Molecular Formula
C11H14O
Molecular Weight
162.23
Precautions
H315, H319, H335
References & Citations
[1]Sabrina Paganoni, et al. Trial of Sodium Phenylbutyrate-Taurursodiol for Amyotrophic Lateral Sclerosis. N Engl J Med. 2020 Sep 3;383 (10) :919-930.|[2]Sabbir Khan, et al. Phenylbutyrate and β-cell function: contribution of histone deacetylases and ER stress inhibition.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-Phenyl-2-pentanone
CAS Number2235-83-8
PubChem CID16701
IUPAC Name5-phenylpentan-2-one
Molecular FormulaC11H14O
Molecular Weight162.23
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity134
SMILES
CC(=O)CCCC1=CC=CC=C1
InChI
InChI=1S/C11H14O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3
InChIKey
DGMYRPFYNFQCHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Phenyl-2-pentanone
CAS: 2235-83-8
CID: 16701
Formula: C11H14O
MW: 162.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.23
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass162.104465066
Monoisotopic Mass162.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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