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CNS-5161 hydrochloride

CAT: 0804-HY-101809-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101809-01Size:1 mg
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Description
CNS-5161 hydrochloride 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
160756-38-7
Product Name Alternative
CNS 5161A
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_(hydrochloride).html
Solubility
10 mM in DMSO
Smiles
N=C(NC1=CC(SC)=CC=C1Cl)N(C)C2=CC=CC(SC)=C2.[H]Cl
Molecular Formula
C16H19Cl2N3S2
Molecular Weight
388.38
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
No Development Reported
Isoform
NMDA Receptor

Chemical Information

CNS-5161 hydrochloride
CAS Number160756-38-7
PubChem CID9886565
IUPAC Name2-(2-chloro-5-methylsulfanylphenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine;hydrochloride
Molecular FormulaC16H19Cl2N3S2
Molecular Weight388.4
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity380
SMILES
CN(C1=CC(=CC=C1)SC)C(=NC2=C(C=CC(=C2)SC)Cl)N.Cl
InChI
InChI=1S/C16H18ClN3S2.ClH/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);1H
InChIKey
ZTVHYOCKPFPHFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CNS-5161 hydrochloride
CAS: 160756-38-7
CID: 9886565
Formula: C16H19Cl2N3S2
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass387.0397454
Monoisotopic Mass387.0397454
Topological Polar Surface Area92.2 Ų
Heavy Atom Count23
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 Count2
Compound Is CanonicalizedYes

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