Ac32Az19 is a potent, nontoxic, and selective BCRP inhibitor (antagonist) with EC50 of 13 nM in BCRP-overexpressing HEK293/R2 cells.

Physicochemical Properties

Molecular Formula	C37H33N3O6
Molecular Weight	615.674429655075
Exact Mass	615.236
CAS #	2760674-72-2
PubChem CID	162640934
Appearance	Off-white to light yellow solid powder
LogP	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	14
Heavy Atom Count	46
Complexity	1020
Defined Atom Stereocenter Count	0
SMILES	C(OC)(=O)C1=CC=CC(COC2C(=O)C3=CC=CC=C3OC=2C2=CC=C(OCCCCC3=CN(CC4=CC=CC=C4)N=N3)C=C2)=C1
InChi Key	BECCUKCZBHNIBT-UHFFFAOYSA-N
InChi Code	InChI=1S/C37H33N3O6/c1-43-37(42)29-13-9-12-27(22-29)25-45-36-34(41)32-15-5-6-16-33(32)46-35(36)28-17-19-31(20-18-28)44-21-8-7-14-30-24-40(39-38-30)23-26-10-3-2-4-11-26/h2-6,9-13,15-20,22,24H,7-8,14,21,23,25H2,1H3
Chemical Name	methyl 3-[[2-[4-[4-(1-benzyltriazol-4-yl)butoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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]. Flavonoid Monomers as Potent, Nontoxic, and Selective Modulators of the Breast Cancer Resistance Protein (ABCG2). J Med Chem. 2021 Oct 14;64(19):14311-14331.

Solubility Data

Solubility (In Vitro)

DMSO: 60 mg/mL (97.45 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3 mg/mL (4.87 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 30.0 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	1.6242 mL	8.1212 mL	16.2425 mL
	5 mM	0.3248 mL	1.6242 mL	3.2485 mL
	10 mM	0.1624 mL	0.8121 mL	1.6242 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.