As a highly efficient NQO1 substrate, NQO1 substrate may be utilized in the research/study of NQO1 overexpression and drug-resistant non-small cell lung cancer (NSCLC).

Physicochemical Properties

Molecular Formula	C13H2F2N4O
Molecular Weight	268.177988529205
Exact Mass	268.019
CAS #	2304503-05-5
PubChem CID	138454764
Appearance	Light yellow to yellow solid powder
LogP	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	20
Complexity	535
Defined Atom Stereocenter Count	0
InChi Key	PZUSGRHVYDQLHR-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H2F2N4O/c14-7-1-5-6(2-8(7)15)13(20)12-11(5)18-9(3-16)10(4-17)19-12/h1-2H
Chemical Name	6,7-difluoro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
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

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~466.10 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 6.25 mg/mL (23.31 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 62.5 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.7288 mL	18.6442 mL	37.2884 mL
	5 mM	0.7458 mL	3.7288 mL	7.4577 mL
	10 mM	0.3729 mL	1.8644 mL	3.7288 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.