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WAY-213613

CAT: 0013-GTR19154861-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154861-02Size:200 mg
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Description
WAY-213613 is a potent and selective nonsubstrate reuptake inhibitor of GLT-1/EAAT2 (IC50: 85 nM EAAT2) . It displays 59- and 44-fold selectivity over EAAT1 and EAAT3 (IC50s: 5 and 3.8 μM, respectively) . WAY-213613 shows no activity at ionotropic and metabotropic glutamate receptors.
CAS Number
868359-05-1
Purity
>98% (HPLC)
Smiles
N[C@@H] (CC (Nc (cc1) ccc1Oc (cc (c (F) c1) F) c1Br) =O) C (O) =O
Molecular Formula
C16H13BrF2N2O4
Molecular Weight
415.19
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Way-213613
CAS Number868359-05-1
PubChem CID11531745
IUPAC Name(2S)-2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid
Molecular FormulaC16H13BrF2N2O4
Molecular Weight415.19
XLogP0.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity477
SMILES
C1=CC(=CC=C1NC(=O)C[C@@H](C(=O)O)N)OC2=CC(=C(C=C2Br)F)F
InChI
InChI=1S/C16H13BrF2N2O4/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)/t13-/m0/s1
InChIKey
BNYDDAAZMBUFRG-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Way-213613
CAS: 868359-05-1
CID: 11531745
Formula: C16H13BrF2N2O4
MW: 415.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.19
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass414.00268
Monoisotopic Mass414.00268
Topological Polar Surface Area102 Ų
Heavy Atom Count25
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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