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CAY10608

CAT: 0931-T37671-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37671-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
457897-92-6
Target
Others, Potassium Channel, iGluR
Related Pathways
Others, Membrane transporter/Ion channel, Neuroscience
Bioactivity
N-Methyl-D-aspartate (NMDA) receptors are Ca2+ permeable ligand-gated channels of the central nervous system that are activated after binding of the co-agonists glutamate and glycine. CAY10608 is a propanolamine that potently, selectively, and non-competitively antagonizes the NR2B subunit of NMDA receptors (IC50 = 50 nM) . It does not inhibit NR1, NR2A, NR2C, and NR2D subunits and has no significant effects on α-amino-3-hydroxy-5-methyl-4-isoxazolepropioinic acid (AMPA) or kainate receptors. CAY10608 is neuroprotective, since it prevents NMDA-triggered release of lactate dehydrogenase from cultured cortical neurons. Also, CAY10608, when administered intraperitoneally, reduces brain infarct volume resulting from transient ischemia via carotid artery occlusion.
Smiles
N(S(C)(=O)=O)C1=CC=C(OC[C@H](CNCCC2=CC(Cl)=C(Cl)C=C2)O)C=C1
Molecular Formula
C18H22Cl2N2O4S
Molecular Weight
433.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
CAS Number457897-92-6
PubChem CID11189693
IUPAC NameN-[4-[(2S)-3-[2-(3,4-dichlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
Molecular FormulaC18H22Cl2N2O4S
Molecular Weight433.3
XLogP3
Topological Polar Surface Area96
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity524
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)OC[C@H](CNCCC2=CC(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C18H22Cl2N2O4S/c1-27(24,25)22-14-3-5-16(6-4-14)26-12-15(23)11-21-9-8-13-2-7-17(19)18(20)10-13/h2-7,10,15,21-23H,8-9,11-12H2,1H3/t15-/m0/s1
InChIKey
GEFDXUZHLNJUMR-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
CAS: 457897-92-6
CID: 11189693
Formula: C18H22Cl2N2O4S
MW: 433.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.3
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass432.0677337
Monoisotopic Mass432.0677337
Topological Polar Surface Area96 Ų
Heavy Atom Count27
Formal Charge0
Complexity524
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

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