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NS3861

CAT: 0931-T9542-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T9542-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
216853-59-7
Target
AChR
Related Pathways
Neuroscience
Purity
0.99853
Bioactivity
NS3861 is an agonist of nicotinic acetylcholine receptors (nAChRs) that binds with high affinity to heteromeric α3β4 and α4β2 nAChRs, displaying β-subunit preference and no activation at α4-containing receptors. The maximal efficacy of NS3861 depends on the ligand-binding domain, and a serine to threonine substitution in the principal subunit may explain the lack of activation at α4-containing receptors.
Smiles
CN1C2CCC1C=C(C2)c1sccc1Br
Molecular Formula
C12H14BrNS
Molecular Weight
284.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene

structure in first source

CAS Number216853-59-7
PubChem CID9838728
IUPAC Name3-(3-bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
Molecular FormulaC12H14BrNS
Molecular Weight284.22
XLogP3.1
Topological Polar Surface Area31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity291
SMILES
CN1C2CCC1C=C(C2)C3=C(C=CS3)Br
InChI
InChI=1S/C12H14BrNS/c1-14-9-2-3-10(14)7-8(6-9)12-11(13)4-5-15-12/h4-6,9-10H,2-3,7H2,1H3
InChIKey
ZJCNRVHZJADROC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene
CAS: 216853-59-7
CID: 9838728
Formula: C12H14BrNS
MW: 284.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.22
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass283.00303
Monoisotopic Mass283.00303
Topological Polar Surface Area31.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP10969-01NS3861
MBS5825317NS3861 fumarate
HY-110121-01NS3861 (fumarate)

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