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Phenethyl ferulate

CAT: 0013-GTR19165060-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165060-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Phenethyl ferulate is a dual cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) inhibitor with IC50 values of 4.35 μM and 5.75 μM, respectively. It exhibits chemopreventive properties, enhancing apoptosis in colon tumors in vivo and demonstrating potential for research in colon carcinogenesis and inflammation-related studies.
CAS Number
71835-85-3
Product Name Alternative
Inhibit, Lipoxygenase, LOX, Inhibitor, 5-LOX, 5-lipoxygenase, Caffeic Acid 3-Methyl Phenethyl Ester, COX, Cyclooxygenase, Tyrosine Kinase, Qianghuo, Phenethyl ferulate
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience
Purity
99.58% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.35 mM) ; DMSO:2.99 mg/mL (10.02 mM)
Smiles
COc1cc (\C=C\C (=O) OCCc2ccccc2) ccc1O
Molecular Formula
C18H18O4
Molecular Weight
298.33
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Phenylethyl 3-methylcaffeate

Phenylethyl 3-methylcaffeate has been reported in Pteronia paniculata, Hansenia forbesii, and other organisms with data available.

CAS Number71835-85-3
PubChem CID5284444
IUPAC Name2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC18H18O4
Molecular Weight298.3
XLogP3.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity360
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O
InChI
InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
InChIKey
CZQNYPBIOHVQQN-CSKARUKUSA-N
Chemical Structure
2D Structure
2D structure of Phenylethyl 3-methylcaffeate
CAS: 71835-85-3
CID: 5284444
Formula: C18H18O4
MW: 298.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.3
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass298.12050905
Monoisotopic Mass298.12050905
Topological Polar Surface Area55.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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