NR2F6 modulator-1 is a potent modulator of nuclear receptor subfamily 2, group F member 6 (NR2F6). NR2F6 modulator-1 may be utilized to study immune regulation and modulation of cancer stem cell activity.

Physicochemical Properties

Molecular Formula	C23H17NO5S
Molecular Weight	419.45
Exact Mass	419.082
CAS #	904449-84-9
PubChem CID	20864493
Appearance	Off-white to light yellow solid powder
LogP	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	30
Complexity	772
Defined Atom Stereocenter Count	0
SMILES	C1(=O)OC2=CC=C(C(NCC3=CC=CC=C3)=O)C=C2C=C1S(C1=CC=CC=C1)(=O)=O
InChi Key	ZNYVQFURPOKGQG-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H17NO5S/c25-22(24-15-16-7-3-1-4-8-16)17-11-12-20-18(13-17)14-21(23(26)29-20)30(27,28)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,25)
Chemical Name	3-(benzenesulfonyl)-N-benzyl-2-oxochromene-6-carboxamide
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]. Small molecule agonists and antagonists of nr2f6 activity. US20180346456A1 (compound C115).

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~298.01 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.96 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	2.3841 mL	11.9204 mL	23.8407 mL
	5 mM	0.4768 mL	2.3841 mL	4.7681 mL
	10 mM	0.2384 mL	1.1920 mL	2.3841 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.