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NMDA receptor antagonist 5

CAT: 0804-HY-146101Size: 1 EachDry Ice: NoHazardous: No
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Description
NMDA receptor antagonist 5 (Compound 10e) is a potent, brain permeable and non-toxic NMDA receptor antagonist. NMDA receptor antagonist 5 can be used for neurological disorder research[1].
CAS Number
2415998-36-4
UNSPSC
12352005
Target
IGluR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/nmda-receptor-antagonist-5.html
Solubility
10 mM in DMSO
Smiles
O=C1CC[C@]2(C3=CC=C(Br)C=C3)O[C@](CC4=C5C=CC=C4)([H])[C@]5([H])N21
Molecular Formula
C19H16BrNO2
Molecular Weight
370.24
References & Citations
[1]Espadinha M, et al. Identification of tetracyclic lactams as NMDA receptor antagonists with potential application in neurological disorders. Eur J Med Chem. 2020 May 15;194:112242.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
NMDA Receptor

Chemical Information

NMDA receptor antagonist 5
CAS Number2415998-36-4
PubChem CID163408853
IUPAC Name(1R,9S,11R)-11-(4-bromophenyl)-10-oxa-15-azatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6-trien-14-one
Molecular FormulaC19H16BrNO2
Molecular Weight370.2
XLogP3.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity504
SMILES
C1C[C@]2(N(C1=O)[C@H]3[C@@H](O2)CC4=CC=CC=C34)C5=CC=C(C=C5)Br
InChI
InChI=1S/C19H16BrNO2/c20-14-7-5-13(6-8-14)19-10-9-17(22)21(19)18-15-4-2-1-3-12(15)11-16(18)23-19/h1-8,16,18H,9-11H2/t16-,18+,19+/m0/s1
InChIKey
DXMFBOLVVHCUHN-QXAKKESOSA-N
Chemical Structure
2D Structure
2D structure of NMDA receptor antagonist 5
CAS: 2415998-36-4
CID: 163408853
Formula: C19H16BrNO2
MW: 370.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.2
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass369.03644
Monoisotopic Mass369.03644
Topological Polar Surface Area29.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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