Byakangelicol, a leukotriol extracted from Angelica dahurica, inhibits interleukin-1β (IL-1β)-induced prostate cancer in A549 cells by inhibiting the expression and activity of cyclooxygenase-2 (COX-2). Release of progesterone E2 (PGE2). Byakangelicol may be utilized in studies related to airway inflammation.

Physicochemical Properties

Molecular Formula	C₁₇H₁₆O₆
Molecular Weight	316.31
Exact Mass	316.094
CAS #	26091-79-2
PubChem CID	3055167
Appearance	Light yellow to yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	503.4±50.0 °C at 760 mmHg
Melting Point	106℃
Flash Point	258.3±30.1 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.592
LogP	2.05
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	23
Complexity	515
Defined Atom Stereocenter Count	1
SMILES	CC1([C@H](O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C
InChi Key	ORBITTMJKIGFNH-LLVKDONJSA-N
InChi Code	InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1
Chemical Name	9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-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: 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)

Biological Activity

References	[1]. Byakangelicol, isolated from Angelica dahurica, inhibits both the activity and induction of cyclooxygenase-2 in human pulmonary epithelial cells. J Pharm Pharmacol. 2002 Sep;54(9):1271-8.
Additional Infomation	Byakangelicol is a member of psoralens. Byakangelicol has been reported in Stauranthus perforatus, Glehnia littoralis, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~316.15 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.90 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 2: ≥ 2.5 mg/mL (7.90 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	3.1615 mL	15.8073 mL	31.6146 mL
	5 mM	0.6323 mL	3.1615 mL	6.3229 mL
	10 mM	0.3161 mL	1.5807 mL	3.1615 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.