NS3861 fumarate

• CAT Number: I011035
• CAS Number: 216853-60-0
• Molecular Formula: C16H18BrNO4S
• Molecular Weight: 400.29
• Purity: ≥95%
• Synonyms: 3-(3-bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene;(E)-but-2-enedioic acid
• InChI: InChI=1S/C12H14BrNS.C4H4O4/c1-14-9-2-3-10(14)7-8(6-9)12-11(13)4-5-15-12;5-3(6)1-2-4(7)8/h4-6,9-10H,2-3,7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: KXBSQPLWTVQFGJ-WLHGVMLRSA-N
• SMILES: CN1C2CCC1C=C(C2)C3=C(C=CS3)Br.C(=CC(=O)O)C(=O)O

NS3861 fumarate is an agonist of nicotinic acetylcholine receptors (nAChRs) and binds with high affinity to heteromeric α3β4 nAChR. The binding Ki values of 0.62, 25, 7.8, 55 nM for α3β4, α3β2, α4β4, α4β2, respectively[1].
NS3861 fumarate displays the opposite β-subunit preference and a complete lack of activation at α4-containing receptors in HEK293 cell lines. NS3861 fumarate selectively activates α3- but not α4-containing nAChRs and it displays higher efficacy at the α3β2 receptor compared with the α3β4 receptor, with EC50s of 1.7 and 0.15 μM for α3β2 and α3β4 receptor, respectively[1].
NS3861 fumarate shows high affinity and partial agonist properties in α3β4-expressed nAChRs[2].

Reference

[1]. Kasper Harpsøe, et al. Molecular determinants of subtype-selective efficacies of cytisine and the novel compound NS3861 at heteromeric nicotinic acetylcholine receptors. J Biol Chem. 2013 Jan 25;288(4):2559-70.
 [Content Brief]