Products for Research Use Only

(S) -SNAP5114

CAT: 0013-GTR19203137-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19203137-02Size:1 ml x 10 mM (in DMSO)
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Description
(S) -SNAP5114 is a selective GABA transporter inhibitor exhibiting IC50 values of 5 μM for hGAT-3 and 21 μM for rGAT-2. This compound demonstrates anticonvulsant properties in research models and is utilized in vitro and in vivo for studying GABAergic neurotransmission, epilepsy, and related neurological disorders.
CAS Number
157604-55-2
Product Name Alternative
GABA Receptor, GABAReceptor, GAT-2, GAT-3, hGAT-3, (S) SNAP5114, (S) SNAP5114, (S) -SNAP-5114, rGAT-2, SNAP 5114, SNAP5114, SNAP-5114
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
97.00% (May vary between batches)
Solubility
DMSO:90 mg/mL (178.01 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.53 mM)
Smiles
COc1ccc (cc1) C (OCCN1CCC[C@@H] (C1) C (O) =O) (c1ccc (OC) cc1) c1ccc (OC) cc1
Molecular Formula
C30H35NO6
Molecular Weight
505.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Snap-5114
CAS Number157604-55-2
PubChem CID10458835
IUPAC Name(3S)-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylic acid
Molecular FormulaC30H35NO6
Molecular Weight505.6
XLogP2.4
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity620
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)OCCN4CCC[C@@H](C4)C(=O)O
InChI
InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
InChIKey
VDLDUZLDZBVOAS-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Snap-5114
CAS: 157604-55-2
CID: 10458835
Formula: C30H35NO6
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass505.24643784
Monoisotopic Mass505.24643784
Topological Polar Surface Area77.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity620
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