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PHA 568487

CAT: 1410-M24500-01Size: 1 EachDry Ice: NoHazardous: No
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Description
The quinuclidine PHA 568487 is an agonist of the alpha 7 nicotinic acetylcholine receptor that was designed to mitigate the bioactivation associated with the core scaffold and subsequently remove associated liabilities with in vivo tolerability.
CAS Number
527680-56-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
288.34
Molecular Formula
C16H20N2O3
Notes
Research use only, not for human use.
Receptor
Α7 nicotinic acetylcholine receptor

Chemical Information

Pha-568487
CAS Number527680-56-4
PubChem CID9932000
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular FormulaC16H20N2O3
Molecular Weight288.34
XLogP1.5
Topological Polar Surface Area50.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity395
SMILES
C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1
InChIKey
LUVXHMJTVXZFPD-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Pha-568487
CAS: 527680-56-4
CID: 9932000
Formula: C16H20N2O3
MW: 288.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.34
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass288.14739250
Monoisotopic Mass288.14739250
Topological Polar Surface Area50.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity395
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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462342-01PHA 568487
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