WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H563653
CAS#: 216853-60-0
Description: NS3861 is an α3β2 full agonist and an α3β4 partial agonist.
Hodoodo Cat#: H563653
Name: NS3861
CAS#: 216853-60-0
Chemical Formula: C16H18BrNO4S
Exact Mass: 399.01
Molecular Weight: 400.287
Elemental Analysis: C, 48.01; H, 4.53; Br, 19.96; N, 3.50; O, 15.99; S, 8.01
Synonym: NS3861; NS-3861; NS 3861;
IUPAC/Chemical Name: 3-(3-Bromo-2-thienyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene fumarate
InChi Key: KXBSQPLWTVQFGJ-WLHGVMLRSA-N
InChi Code: 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+
SMILES Code: CN1C2C=C(C3=C(Br)C=CS3)CC1CC2.O=C(O)/C=C/C(O)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.03.00
More Info:
| Biological target: | |
| In vitro activity: | |
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The following data is based on the product molecular weight 400.29 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Gade AR, Kang M, Khan F, Grider JR, Damaj MI, Dewey WL, Akbarali HI. Enhanced Sensitivity of α3β4 Nicotinic Receptors in Enteric Neurons after Long-Term Morphine: Implication for Opioid-Induced Constipation. J Pharmacol Exp Ther. 2016 Jun;357(3):520-8. doi: 10.1124/jpet.116.233304. Epub 2016 Apr 11. PubMed PMID: 27068812; PubMed Central PMCID: PMC4885510.
2: Harpsøe K, Hald H, Timmermann DB, Jensen ML, Dyhring T, Nielsen EØ, Peters D, Balle T, Gajhede M, Kastrup JS, Ahring PK. 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. doi: 10.1074/jbc.M112.436337. Epub 2012 Dec 10. PubMed PMID: 23229547; PubMed Central PMCID: PMC3554923.
