DEPTOR-IN-1 is a new potential DEPTOR inhibitor (antagonist) with Kd of 9.3 μM.

Physicochemical Properties

Molecular Formula	C24H16CL2FNO4
Molecular Weight	472.29
Exact Mass	471.044
CAS #	2615911-12-9
PubChem CID	162640914
Appearance	Light yellow to yellow solid powder
LogP	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	32
Complexity	752
Defined Atom Stereocenter Count	0
SMILES	O1C2=CC=C3C(=O)C(O)=C(C4=CC=C(Cl)C(Cl)=C4)OC3=C2CN(CC2=CC=CC(F)=C2)C1
InChi Key	YHKREPOFPNSZAL-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H16Cl2FNO4/c25-18-6-4-14(9-19(18)26)23-22(30)21(29)16-5-7-20-17(24(16)32-23)11-28(12-31-20)10-13-2-1-3-15(27)8-13/h1-9,30H,10-12H2
Chemical Name	2-(3,4-dichlorophenyl)-9-[(3-fluorophenyl)methyl]-3-hydroxy-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-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]. Design, Synthesis, and Biological Evaluation of Icaritin Derivatives as Novel Putative DEPTOR Inhibitors for Multiple Myeloma Treatment. J Med Chem. 2021 Oct 28;64(20):14942-14954.

Solubility Data

Solubility (In Vitro)

DMSO: 4 mg/mL (8.47 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.4 mg/mL (0.85 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 4.0 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	2.1173 mL	10.5867 mL	21.1734 mL
	5 mM	0.4235 mL	2.1173 mL	4.2347 mL
	10 mM	0.2117 mL	1.0587 mL	2.1173 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.