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NP10679

CAT: 0931-T73447-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T73447-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2914889-88-4
Target
Cytochromes P450, Potassium Channel, Histamine Receptor, NMDAR
Related Pathways
Metabolism, Neuroscience, GPCR/G Protein, Immunology/Inflammation, Membrane transporter/Ion channel
Purity
0.9943
Bioactivity
NP10679 is an orally available, selective, brain-penetrating, potent, and pH-sensitive N-methyl-D-aspartate (NMDA) receptor inhibitor of the GluN2B subunit.NP10679 inhibits histamine H1, hERG channels, and CYP enzymes, and may be useful in the study of epilepsy and ischemic stroke.
Smiles
O(C[C@@H](CN1CCN(CC1)C2=CC=C(C(F)(F)F)C=C2)O)C=3C=C4C(=CC3)NC(=O)CC4
Molecular Formula
C23H26F3N3O3
Molecular Weight
449.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Np-10679
CAS Number2914889-88-4
PubChem CID162623707
IUPAC Name6-[(2R)-2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC23H26F3N3O3
Molecular Weight449.5
XLogP2.9
Topological Polar Surface Area65
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity619
SMILES
C1CC(=O)NC2=C1C=C(C=C2)OC[C@@H](CN3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)O
InChI
InChI=1S/C23H26F3N3O3/c24-23(25,26)17-2-4-18(5-3-17)29-11-9-28(10-12-29)14-19(30)15-32-20-6-7-21-16(13-20)1-8-22(31)27-21/h2-7,13,19,30H,1,8-12,14-15H2,(H,27,31)/t19-/m1/s1
InChIKey
QJKYLYXHWSCZQT-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Np-10679
CAS: 2914889-88-4
CID: 162623707
Formula: C23H26F3N3O3
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass449.19262619
Monoisotopic Mass449.19262619
Topological Polar Surface Area65 Ų
Heavy Atom Count32
Formal Charge0
Complexity619
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

Alternative Products

CatalogName
BA5140-5NP10679

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