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Onfasprodil

CAT: 0804-HY-145585-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145585-02Size:5 mg
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Description
Onfasprodil is negative allosteric modulator of NR2B. Onfasprodil in combination with GABA receptor regulator has the potential for the research of Alzheimer's disease (extracted from patent CN111481543A) [1].
CAS Number
1892581-29-1
Product Name Alternative
MIJ-821
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/onfasprodil.html
Solubility
10 mM in DMSO
Smiles
O[C@H](C1=CC=C(C=N1)O)CN(C2)C[C@](C3)([H])[C@@]2([H])C[C@H]3OC4=C(C=CC=C4)F
Molecular Formula
C20H23FN2O3
Molecular Weight
358.41
References & Citations
[1]Liu, Shanglian, et al. Use of NR2B negative allosteric modulators in combination with GABA receptor modulators for the preparation of a medicament for the treatment of Alzheimer's disease. Patent CN111481543A.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Mij821
CAS Number1892581-29-1
PubChem CID118981713
IUPAC Name6-[(1S)-2-[(3aR,6aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
Molecular FormulaC20H23FN2O3
Molecular Weight358.4
XLogP2.3
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity454
SMILES
C1[C@@H]2CN(C[C@@H]2CC1OC3=CC=CC=C3F)C[C@@H](C4=NC=C(C=C4)O)O
InChI
InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16?,19-/m0/s1
InChIKey
NEFQLCKWVRZEJA-ZWVKXQFTSA-N
Chemical Structure
2D Structure
2D structure of Mij821
CAS: 1892581-29-1
CID: 118981713
Formula: C20H23FN2O3
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass358.16927076
Monoisotopic Mass358.16927076
Topological Polar Surface Area65.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity454
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

Alternative Products

CatalogName
MBS5804023Onfasprodil

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