SM04554 (Dalosirvat, Wnt pathway activator 1), a novel activator of Wnt with an IC50s of 28-29 nM, is an experimental drug that shows promise for treating androgenetic alopecia (male pattern baldness). It is applied topically to the scalp – like minoxidil – but works by selectively activating and deactivating WNT signalling pathways.

Physicochemical Properties

Molecular Formula	C18H16O4
Molecular Weight	296.32
Exact Mass	296.104
CAS #	1360540-81-3
PubChem CID	56837361
Appearance	Light yellow to yellow solid powder
Density	1.2±0.1 g/cm3
Boiling Point	500.1±50.0 °C at 760 mmHg
Flash Point	223.1±30.2 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.586
LogP	3.36
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	22
Complexity	400
Defined Atom Stereocenter Count	0
InChi Key	AOCDRSSVFUCURK-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2
Chemical Name	1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenylbutane-1,4-dione
Synonyms	SM-04554 SM 04554 SM04554 Dalosirvat
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]. Diketones and hydroxyketones as catenin signaling pathway activators. WO2012024404A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~83.33 mg/mL (~281.22 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.02 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 20.8 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: ≥ 2.08 mg/mL (7.02 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 20.8 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: ≥ 2.08 mg/mL (7.02 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 20.8 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	3.3747 mL	16.8737 mL	33.7473 mL
	5 mM	0.6749 mL	3.3747 mL	6.7495 mL
	10 mM	0.3375 mL	1.6874 mL	3.3747 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.