Stafia-1 is a potent inhibitor of STAT5a (K i=10.9 μM, IC50=22.2 μM). Stafia-1 displays high selectivity compared to STAT5b and other STAT family members.

Physicochemical Properties

Molecular Formula	C24H27O10P
Molecular Weight	506.44
Exact Mass	506.134
CAS #	2582757-90-0
PubChem CID	146681206
Appearance	White to off-white solid powder
LogP	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	35
Complexity	617
Defined Atom Stereocenter Count	0
SMILES	OP(O)(OC1=CC(C2C=C(OC)C(OC)=C(OC)C=2)=CC(C2C=C(OC)C(OC)=C(C=2)OC)=C1)=O
InChi Key	UGUOUFLCZFMHNI-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H27O10P/c1-28-19-10-16(11-20(29-2)23(19)32-5)14-7-15(9-18(8-14)34-35(25,26)27)17-12-21(30-3)24(33-6)22(13-17)31-4/h7-13H,1-6H3,(H2,25,26,27)
Chemical Name	[3,5-bis(3,4,5-trimethoxyphenyl)phenyl] dihydrogen phosphate
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

Targets	STAT5a 10.9 μM (Ki) STAT5a 22.2 μM (IC50)
ln Vitro	Stafia-1 has greater selectivity against other members of the STAT family and at least a 9-fold selectivity over STAT5b[1].
References	[1]. Stafia-1: a STAT5a-Selective Inhibitor Developed via Docking-Based Screening of in Silico O-Phosphorylated Fragments. Chemistry. 2020;26(1):148-154.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (493.64 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.11 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 (4.11 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 (4.11 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	1.9746 mL	9.8728 mL	19.7457 mL
	5 mM	0.3949 mL	1.9746 mL	3.9491 mL
	10 mM	0.1975 mL	0.9873 mL	1.9746 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.