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EMD-95885

CAT: 0013-GTR19249484-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249484-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EMD-95885 is a potent and selective NR2B subunit-containing NMDA receptor antagonist (IC50 = 3.9 nM) with minimal activity at other NMDA receptor sites. It is a valuable research tool for investigating the role of NR2B in neurological processes, applicable in both in vitro binding assays and in vivo models of neuropathic pain and neurodegeneration.
CAS Number
178165-43-0
Field of Research
Musculoskeletal & Connective Tissue Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C1OC2=CC (=CC=C2N1) C (=O) CCN3CCC (CC4=CC=C (F) C=C4) CC3
Molecular Formula
C22H23FN2O3
Molecular Weight
382.428
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Emd 95885

analog of eliprodil; structure given in first source

CAS Number178165-43-0
PubChem CID177328
IUPAC Name6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one
Molecular FormulaC22H23FN2O3
Molecular Weight382.4
XLogP3.6
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity556
SMILES
C1CN(CCC1CC2=CC=C(C=C2)F)CCC(=O)C3=CC4=C(C=C3)NC(=O)O4
InChI
InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)
InChIKey
FWYRCNFWCMKNTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Emd 95885
CAS: 178165-43-0
CID: 177328
Formula: C22H23FN2O3
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass382.16927076
Monoisotopic Mass382.16927076
Topological Polar Surface Area58.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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