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RJR-2429

CAT: 0804-HY-136947Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-136947Size:1 Each
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Description
RJR-2429 is a nAChR agonist (EC50: 59 nM) . RJR-2429 binds with high affinity to α4β2 receptor subtype (Ki = 1 nM) . RJR-2429 induces ileum contraction[1].
CAS Number
91556-75-1
UNSPSC
12352005
Target
NAChR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/rjr-2429.html
Smiles
N1(CC2)C(C3=CC=CN=C3)CC2CC1
Molecular Formula
C12H16N2
Molecular Weight
188.27
References & Citations
[1]Bencherif M, et al. The heterocyclic substituted pyridine derivative (+/-) -2- (-3-pyridinyl) -1-azabicyclo[2.2.2]octane (RJR-2429) : a selective ligand at nicotinic acetylcholine receptors. J Pharmacol Exp Ther. 1998 Mar;284 (3) :886-94.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(3-Pyridinyl)-1-azabicyclo(2.2.2)octane

structure in first source

CAS Number91556-75-1
PubChem CID10176454
IUPAC Name2-pyridin-3-yl-1-azabicyclo[2.2.2]octane
Molecular FormulaC12H16N2
Molecular Weight188.27
XLogP1.6
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity196
SMILES
C1CN2CCC1CC2C3=CN=CC=C3
InChI
InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
InChIKey
YJYPZLAZNIGNRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Pyridinyl)-1-azabicyclo(2.2.2)octane
CAS: 91556-75-1
CID: 10176454
Formula: C12H16N2
MW: 188.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.27
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass188.131348519
Monoisotopic Mass188.131348519
Topological Polar Surface Area16.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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