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A 85380 (hydrochloride)

CAT: 0804-HY-110131-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110131-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A 85380 hydrochloride is a novel, high affinity neuronal nicotinic acetylcholine receptor (nAChR) agonist. A 85380 hydrochloride exhibits selectivity for the α4β2 nAChR subtypes. A 85380 hydrochloride has a broad-spectrum analgesic profile[1].
CAS Number
174740-86-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
NAChR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/a-85380-hydrochloride.html
Purity
97.0
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
C1(OC[C@@H]2CCN2)=CN=CC=C1.Cl.Cl
Molecular Formula
C9H14Cl2N2O
Molecular Weight
237.13
Precautions
H302, H315, H319, H335
References & Citations
[1]Sullivan J P, et al. A-85380 [3- (2 (S) -azetidinylmethoxy) pyridine]: in vitro pharmacological properties of a novel, high affinity α4β2 nicotinic acetylcholine receptor ligand[J]. Neuropharmacology, 1996, 35 (6) : 725-734.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-3-(Azetidin-2-ylmethoxy)pyridine dihydrochloride
CAS Number174740-86-4
PubChem CID10399247
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.12
Topological Polar Surface Area34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity140
SMILES
C1CN[C@@H]1COC2=CN=CC=C2.Cl.Cl
InChI
InChI=1S/C9H12N2O.2ClH/c1-2-9(6-10-4-1)12-7-8-3-5-11-8;;/h1-2,4,6,8,11H,3,5,7H2;2*1H/t8-;;/m0../s1
InChIKey
GVEVDINKRFDXFP-JZGIKJSDSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-(Azetidin-2-ylmethoxy)pyridine dihydrochloride
CAS: 174740-86-4
CID: 10399247
Formula: C9H14Cl2N2O
MW: 237.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.12
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass236.0483185
Monoisotopic Mass236.0483185
Topological Polar Surface Area34.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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