SGK1-IN-1 is a highly active, selective inhibitor of serum and glucocorticoid-regulated kinase 1 (SGK-1) with IC50 of 1 nM.

Physicochemical Properties

Molecular Formula	C17H12CLFN6O2S
Molecular Weight	418.832583427429
Exact Mass	418.041
CAS #	1279829-87-6
PubChem CID	71506845
Appearance	Light yellow to yellow solid powder
LogP	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	28
Complexity	644
Defined Atom Stereocenter Count	0
SMILES	ClC1=CC=C(C(=C1)S(NC1C=CC(=CC=1)C1C=NC2=C(N)NN=C2N=1)(=O)=O)F
InChi Key	DDKHTWASHUKHLD-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)
Chemical Name	N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
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	SGK1-IN-1 (14n) demonstrates excellent SGK efferosome selectivity with good activity against hSGK2 and moderate activity against hSGK3 with IC50 of 1, 41 nM at 10 μM and 50 μM ATP doses. IN-1 also showed cellular activity in the SGK1 phosphorylation assay of GSK3β in U2OS cells, with an activity of 0.69 μM [2].
References	[1]. ARYL SULFONOHYDRAZIDES. WO 2013041119 A1. [2]. Discovery of N-[4-(1H-Pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors. ACS Med Chem Lett. 2014 Oct 23;6(1):73-8.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~119.38 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.97 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	2.3876 mL	11.9380 mL	23.8760 mL
	5 mM	0.4775 mL	2.3876 mL	4.7752 mL
	10 mM	0.2388 mL	1.1938 mL	2.3876 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.