Bragsin1 is a potent, selective, noncompetitive inhibitor of the nucleotide exchange factor ArfGEF BRAG2, inhibiting Arf GTPase activation with IC50 of 3 μM. Bragsin1 binds to the PH domain of BRAG2 and is a noncompetitive interface inhibitor that has no effect on the Sec7 domain of human ArfGEFs. Has anti-tumor activity.

Physicochemical Properties

Molecular Formula	C11H6F3NO4
Molecular Weight	273.164853572845
Exact Mass	273.024
CAS #	369631-68-5
PubChem CID	740511
Appearance	White to off-white solid powder
LogP	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	19
Complexity	440
Defined Atom Stereocenter Count	0
InChi Key	WEUSXIBCGCFOQR-UHFFFAOYSA-N
InChi Code	InChI=1S/C11H6F3NO4/c1-5-2-3-7-9(10(5)15(17)18)6(16)4-8(19-7)11(12,13)14/h2-4H,1H3
Chemical Name	6-methyl-5-nitro-2-(trifluoromethyl)chromen-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]. PH-domain-binding inhibitors of nucleotide exchange factor BRAG2 disrupt Arf GTPase signaling. Nat Chem Biol. 2019 Feb 11. doi: 10.1038/s41589-019-0228-3.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~228.80 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.61 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	3.6609 mL	18.3043 mL	36.6086 mL
	5 mM	0.7322 mL	3.6609 mL	7.3217 mL
	10 mM	0.3661 mL	1.8304 mL	3.6609 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.