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CNS-5161

CAT: 0931-T27055-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27055-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160754-76-7
Target
Others, iGluR
Related Pathways
Others, Neuroscience, Membrane transporter/Ion channel
Bioactivity
CNS-5161 is an NMDA antagonist.
Smiles
N(C(N(C)C1=CC(SC)=CC=C1)=N)C2=CC(SC)=CC=C2Cl
Molecular Formula
C16H18ClN3S2
Molecular Weight
351.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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