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CGP-78608

CAT: 0013-GTR19210054-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210054-02Size:50 mg
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Description
CGP-78608 is a selective antagonist of the glycine site on NMDA receptors. It is used in neuroscience research to block the NMDA/NO/cGMP pathway, particularly in studies investigating ammonia-induced neurotoxicity in both cellular and animal models.
CAS Number
206648-13-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (N[C@@H] (P (=O) (O) O) C) C1=C2C (NC (=O) C (=O) N2) =CC (Br) =C1
Molecular Formula
C11H13BrN3O5P
Molecular Weight
378.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cgp-78608

CGP 78608 is a phosphonic acid in which the hydrogen attached to phosphorous is substituted by a 1-{[(7-bromo-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]amino}ethyl group. Potent and selective NMDA antagonist that acts through the glycine site (IC50 = 5 nM). Displays >500-fold selectivity over kainate and AMPA receptors (IC50 values are 2.7 and 3 M respectively). Anticonvulsant in vivo following systemic administration. It has a role as an anticonvulsant and a NMDA receptor antagonist. It is a member of phosphonic acids, an organobromine compound, a quinoxaline derivative and a secondary amino compound. It contains a CGP 78608(1+).

CAS Number206648-13-7
PubChem CID6604872
IUPAC Name[(1S)-1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]phosphonic acid
Molecular FormulaC11H13BrN3O5P
Molecular Weight378.12
XLogP-3.1
Topological Polar Surface Area128
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity484
SMILES
C[C@@H](NCC1=C2C(=CC(=C1)Br)NC(=O)C(=O)N2)P(=O)(O)O
InChI
InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
InChIKey
DPFHVUSPVHRVFL-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of Cgp-78608
CAS: 206648-13-7
CID: 6604872
Formula: C11H13BrN3O5P
MW: 378.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.12
XLogP3-3.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass376.97762
Monoisotopic Mass376.97762
Topological Polar Surface Area128 Ų
Heavy Atom Count21
Formal Charge0
Complexity484
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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T69949-01CGP-78608
BC183635-01CGP 78608
1493/10CGP 78608 hydrochloride
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