yGsy2p-IN-1 is a potent inhibitor of yeast glycogen synthase 2 (yGsy2p). yGsy2p-IN-1 is a competitive human glycogen synthase 1 (hGYS1) inhibitor (antagonist) with IC50 of 2.75 µM and Ki of 1.31 µM against wild-type hGYS1. yGsy2p-IN-1 is a pyrazole inhibitor for glycogen storage diseases (GSDs).

Physicochemical Properties

Molecular Formula	C16H11F3N2O4
Molecular Weight	352.264754533768
Exact Mass	352.067
CAS #	2415003-97-1
PubChem CID	146673157
Appearance	Typically exists as solid at room temperature
LogP	3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	25
Complexity	459
Defined Atom Stereocenter Count	0
InChi Key	ZGYXFHLAPGZNDW-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H11F3N2O4/c17-16(18,19)15-11(7-1-3-8(22)4-2-7)12(20-21-15)9-5-6-10(23)14(25)13(9)24/h1-6,22-25H,(H,20,21)
Chemical Name	4-[4-(4-hydroxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,2,3-triol
Synonyms	yGsy2pIN1; yGsy2p IN 1
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	yGsy2p-IN-1 (compound 23; 0.1, 1, 10, 100, 1000 µM) has an IC50 of 7.89 µM for yGsy2p-WT and 33.6 µM for yGsy2p-Y513L, respectively [1]. Rat-1 and HEK293-PTG cell lysates nearly entirely lack synthase activity when treated with 100 μM of yGsy2p-IN-1 [1].
References	[1]. Buyun Tang, et al. Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase. J Med Chem. 2020 Apr 9;63(7):3538-3551.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~177.43 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.90 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (5.90 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 20.8 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.90 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	2.8388 mL	14.1941 mL	28.3881 mL
	5 mM	0.5678 mL	2.8388 mL	5.6776 mL
	10 mM	0.2839 mL	1.4194 mL	2.8388 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.