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(S) -Baclofen (hydrochloride)

CAT: 0804-HY-B0007ASize: 1 EachDry Ice: NoHazardous: No
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Description
(S) -Baclofen hydrochloride is a GABAB receptor agonist that crosses the blood-brain barrier and is orally active, with IC50 values ​​of 1.77 μM for GABAB and 1564 μM for GABAA. (S) -Baclofen hydrochloride can be used in research on muscle disorders such as spasticity[1][2].
CAS Number
63701-56-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
GABA Receptor
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
OC(C[C@@H](C1=CC=C(C=C1)Cl)CN)=O.Cl
Molecular Formula
C10H13Cl2NO2
Molecular Weight
250.12
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]He Q, et al. Simultaneous Quantitation of S (+) - and R (-) -Baclofen and Its Metabolite in Human Plasma and Cerebrospinal Fluid using LC-APCI-MS/MS: An Application for Clinical Studies. Molecules. 2020 Jan 8;25 (2) :250. |[2]Froestl W, et al. Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. J Med Chem. 1995;38 (17) :3297-3312.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride (1:1), (betaS)-
CAS Number63701-56-4
PubChem CID44599
IUPAC Name(3S)-4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity191
SMILES
C1=CC(=CC=C1[C@H](CC(=O)O)CN)Cl.Cl
InChI
InChI=1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H/t8-;/m1./s1
InChIKey
WMNUVYYLMCMHLU-DDWIOCJRSA-N
Chemical Structure
2D Structure
2D structure of Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, hydrochloride (1:1), (betaS)-
CAS: 63701-56-4
CID: 44599
Formula: C10H13Cl2NO2
MW: 250.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.12
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass249.0323340
Monoisotopic Mass249.0323340
Topological Polar Surface Area63.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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