Pterosin B, an indanone found in bracken (Pteridium aquilinum), is an inhibitor (blocker/antagonist) of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3.

Physicochemical Properties

Molecular Formula	C14H18O2
Molecular Weight	218.29152
Exact Mass	218.13
CAS #	34175-96-7
PubChem CID	115049
Appearance	White to light yellow solid powder
Density	1.1±0.1 g/cm3
Boiling Point	396.5±41.0 °C at 760 mmHg
Flash Point	169.3±20.2 °C
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.560
LogP	2.65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Complexity	274
Defined Atom Stereocenter Count	1
SMILES	C[C@@H]1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C
InChi Key	SJNCSXMTBXDZQA-SECBINFHSA-N
InChi Code	InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3/t9-/m1/s1
Chemical Name	(2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-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
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]. A concise stereoselective synthesis of pterosin B. Tetrahedron Letters, Volume 59, Issue 49, 5 December 2018, Pages 4323-4325. [2]. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3. Nat Commun. 2016 Mar 24;7:10959.
Additional Infomation	Pterosin B has been reported in Pteris dactylina, Pteris grevilleana, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~1145.27 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.75 mg/mL (12.60 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 27.5 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: ≥ 2.75 mg/mL (12.60 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 27.5 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: ≥ 2.75 mg/mL (12.60 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 27.5 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	4.5811 mL	22.9053 mL	45.8106 mL
	5 mM	0.9162 mL	4.5811 mL	9.1621 mL
	10 mM	0.4581 mL	2.2905 mL	4.5811 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.