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A 582941

CAT: 1410-M22382-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M22382-02Size:1 mL x 10 mM in DMSO
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Description
A 582941 is a Selective agonist of α7 nAChR partialA-582941 was found to exhibit high-affinity binding and partial agonism at alpha7 nAChRs. In vitro and in vivo studies indicated that A-582941 activates signaling pathways known to be involved in cognitive function such as ERK1/2 and CREB phosphorylation.
CAS Number
848591-90-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
280.37
Molecular Formula
C17H20N4
Notes
Research use only, not for human use.
Receptor
Α7 nAChR

Chemical Information

A-582941 free base
CAS Number848591-90-2
PubChem CID44190553
IUPAC Name(3aS,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
Molecular FormulaC17H20N4
Molecular Weight280.37
XLogP2.1
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity341
SMILES
CN1C[C@@H]2CN(C[C@@H]2C1)C3=NN=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+
InChIKey
GTMRUYCIJSNXGB-GASCZTMLSA-N
Chemical Structure
2D Structure
2D structure of A-582941 free base
CAS: 848591-90-2
CID: 44190553
Formula: C17H20N4
MW: 280.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.37
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass280.16879665
Monoisotopic Mass280.16879665
Topological Polar Surface Area32.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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