Phenethyl ferulate is a major component of Qianghuo and exhibits inhibitory effect against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX), with IC50s of 4.35 μM and 5.75 μM respectively.

Physicochemical Properties

Molecular Formula	C18H18O4
Molecular Weight	298.33
Exact Mass	300.136
CAS #	71835-85-3
PubChem CID	5284444
Appearance	White to off-white solid powder
Density	1.193g/cm3
Boiling Point	474.7ºC at 760 mmHg
Melting Point	81℃
Flash Point	171.6ºC
Index of Refraction	1.606
LogP	3.119
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Complexity	360
Defined Atom Stereocenter Count	0
SMILES	COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O
InChi Key	CZQNYPBIOHVQQN-CSKARUKUSA-N
InChi Code	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+
Chemical Name	2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	COX 4.35 μM (IC50) 5-LOX 5.75 μM (IC50)
References	[1]. 5-Lipoxygenase and cyclooxygenase inhibitory active constituents from Qianghuo (Notopterygium incisum). Planta Med. 1997 Jun;63(3):203-6.
Additional Infomation	Phenylethyl 3-methylcaffeate has been reported in Hansenia forbesii, Hansenia weberbaueriana, and Propolis with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (167.60 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.38 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 (8.38 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (8.38 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.3520 mL	16.7600 mL	33.5199 mL
	5 mM	0.6704 mL	3.3520 mL	6.7040 mL
	10 mM	0.3352 mL	1.6760 mL	3.3520 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.