Anti-inflammatory agent 32 (compound C3) has antioxidant and anti-inflammatory activities. Anti-inflammatory agent 32 may be utilized in the development of skin care products.

Physicochemical Properties

Molecular Formula	C20H20O4
Molecular Weight	324.370406150818
Exact Mass	324.136
CAS #	2577388-38-4
PubChem CID	163948872
Appearance	Light yellow to yellow solid powder
LogP	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	24
Complexity	478
Defined Atom Stereocenter Count	0
SMILES	C(C1=CC=C(O)C(C/C=C(/C)\C)=C1)(=O)/C=C/C1=CC=C(O)C(O)=C1
InChi Key	RXNYTCNRGLMQSL-XBXARRHUSA-N
InChi Code	InChI=1S/C20H20O4/c1-13(2)3-6-15-12-16(7-10-18(15)22)17(21)8-4-14-5-9-19(23)20(24)11-14/h3-5,7-12,22-24H,6H2,1-2H3/b8-4+
Chemical Name	(E)-3-(3,4-dihydroxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
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

References

[1]. COMPOSITION FOR TREATING OR PREVENTING INFLAMMATORY BOWEL DISEASE. WO2021010690. 2021.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (308.29 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.71 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 (7.71 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.0829 mL	15.4145 mL	30.8290 mL
	5 mM	0.6166 mL	3.0829 mL	6.1658 mL
	10 mM	0.3083 mL	1.5414 mL	3.0829 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.