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CNS 5161

CAT: 0804-HY-101809ASize: 1 EachDry Ice: NoHazardous: No
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Description
CNS-5161 is a novel NMDA ion-channel antagonist that interacts with the NMDA receptor/ion channel site to produce a noncompetitive blockade of the actions of glutamate.
CAS Number
160754-76-7
UNSPSC
12352005
Target
IGluR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/cns-5161.html
Solubility
10 mM in DMSO
Smiles
N=C(NC1=CC(SC)=CC=C1Cl)N(C)C2=CC=CC(SC)=C2
Molecular Formula
C16H18ClN3S2
Molecular Weight
351.92
References & Citations
[1]Walters MR, et al. Early clinical experience with the novel NMDA receptor antagonist CNS 5161. Br J Clin Pharmacol. 2002 Mar;53 (3) :305-11.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Cns 5161

CNS 5161 is a blocker of the NMDA ion channel and has completed Phase IIa proof of concept clinical trials as a novel compound for the treatment of neuropathic pain.

CAS Number160754-76-7
PubChem CID192711
IUPAC Name2-(2-chloro-5-methylsulfanylphenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine
Molecular FormulaC16H18ClN3S2
Molecular Weight351.9
XLogP4.2
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity380
SMILES
CN(C1=CC(=CC=C1)SC)C(=NC2=C(C=CC(=C2)SC)Cl)N
InChI
InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)
InChIKey
JHVHEDNLONERHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cns 5161
CAS: 160754-76-7
CID: 192711
Formula: C16H18ClN3S2
MW: 351.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.9
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass351.0630676
Monoisotopic Mass351.0630676
Topological Polar Surface Area92.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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