SJ6986 is a potent, selective, orally bioavailable GSPT1/2 degrader with DC50 of 2.1 nM (Dmax 99%) for GSPT1.

Physicochemical Properties

Molecular Formula	C20H14F3N3O7S
Molecular Weight	497.40
Exact Mass	497.05
Elemental Analysis	C, 48.30; H, 2.84; F, 11.46; N, 8.45; O, 22.52; S, 6.45
CAS #	2765625-93-0
PubChem CID	155925914
Appearance	White to yellow solid powder
LogP	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	34
Complexity	981
Defined Atom Stereocenter Count	0
InChi Key	RKAFYSIKAVFVPS-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H14F3N3O7S/c21-20(22,23)33-14-3-1-2-4-15(14)34(31,32)25-10-5-6-11-12(9-10)19(30)26(18(11)29)13-7-8-16(27)24-17(13)28/h1-6,9,13,25H,7-8H2,(H,24,27,28)
Chemical Name	N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
Synonyms	SJ6986; SJ-6986; SJ 6986;
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

ln Vitro	In the MV4-11, MHH-CALL-4, MB002, MB004, and HD-MB03 cell lines, the EC50 values of SJ6986 are 1.5 nM, 0.4 nM, 726 nM, 336 nM, and 3583 nM, respectively [1].
ln Vivo	The t1/2 of SJ6986 in CD1 mice was 3.44 hours at 3 mg/kg intravenously, and the tmax was 0.25 hours at 10 mg/kg oral (%F = 84) [1].
Cell Assay	Cell proliferation assay [1] Cell Types: MV4-11 cells. Tested Concentrations: 0-100 μM. Incubation Duration: 3 days. Experimental Results: EC50 is 1.5 nM. Western Blot Analysis[1] Cell Types: MV4-11 cells. Tested Concentrations: 0-10μM. Incubation Duration: 4 hrs (hours) and 24 hrs (hours). Experimental Results: GSPT1 protein levels diminished in a dose- and time-dependent manner.
References	[1]. Identification of Potent, Selective, and Orally Bioavailable Small-Molecule GSPT1/2 Degraders from a Focused Library of Cereblon Modulators. J Med Chem. 2021 May 27.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~201.05 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.03 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline 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	2.0105 mL	10.0523 mL	20.1045 mL
	5 mM	0.4021 mL	2.0105 mL	4.0209 mL
	10 mM	0.2010 mL	1.0052 mL	2.0105 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.