WAY-213613 ( HCl) is a potent and specific inhibitor of human EAAT2. WAY-213613 has potent EAAT2 inhibitory activity with IC50 of 85 nM. WAY-213613 may be utilized in studies of the central nervous system/CNS.

Physicochemical Properties

Molecular Formula	C16H14BRCLF2N2O4
Molecular Weight	451.65
Exact Mass	449.979
CAS #	2450268-84-3
Related CAS #	WAY-213613;868359-05-1
PubChem CID	139290995
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	26
Complexity	477
Defined Atom Stereocenter Count	1
SMILES	C1(=CC(Br)=C(C=C1F)OC1C=CC(NC(=O)C[C@@H](C(=O)O)N)=CC=1)F.Cl
InChi Key	IBCWXGJQAQXHPZ-ZOWNYOTGSA-N
InChi Code	InChI=1S/C16H13BrF2N2O4.ClH/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24;/h1-6,13H,7,20H2,(H,21,22)(H,23,24);1H/t13-;/m0./s1
Chemical Name	(2S)-2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid;hydrochloride
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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

Targets	EAAT2
ln Vitro	With IC50 values of 5004 nM, 85 nM, and 3787 nM, respectively, WAY-213613 hydrochloride (0-100 μM) exhibits inhibitory activity against human EAAT1, EAAT2, and EAAT3 isoforms[1]. With Ki values of 15 nM, 41 nM, and 55 nM, WAY-213613 hydrochloride (3,30,300 nM) inhibits synaptosome L-[3H] glutamate absorption [1]. When EAAT1-, EAAT2-, or EAAT3 is injected into oocytes, WAY-213613 hydrochloride (0-100 μM) blocks glutamate-induced currents in a concentration-dependent manner (IC50 values: 48, 0.13, and 4.0 μM, respectively)[1]. With strong selectivity for ionophilic receptors and EAAT2, WAY-213613 hydrochloride (0.5-50 μM) exerts inhibiting effects on NMDA stimulation responses [1].
References	[1]. Characterization of novel aryl-ether, biaryl, and fluorene aspartic acid and diaminopropionic acid analogs as potent inhibitors of the high-affinity glutamate transporter EAAT2. Mol Pharmacol. 2005 Oct;68(4):974-82. Epub 2005 Jul 13. [2]. A small molecule p75NTR ligand, LM11A-31, reverses cholinergic neurite dystrophy in Alzheimer's disease mouse models with mid- to late-stage disease progression. PLoS One. 2014 Aug 25;9(8):e102136.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (110.71 mM) H2O: < 0.1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.54 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 25.0 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: ≥ 2.5 mg/mL (5.54 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.54 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 25.0 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	2.2141 mL	11.0705 mL	22.1410 mL
	5 mM	0.4428 mL	2.2141 mL	4.4282 mL
	10 mM	0.2214 mL	1.1071 mL	2.2141 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.