NS3861 | CAS#216853-60-0 | α3β2 agonist

MedKoo Cat#: 563653 | Name: NS3861

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

NS3861 is an α3β2 full agonist and an α3β4 partial agonist.

Chemical Structure

NS3861

CAS#216853-60-0

Theoretical Analysis

MedKoo Cat#: 563653

Name: NS3861

CAS#: 216853-60-0

Chemical Formula: C16H18BrNO4S

Exact Mass: 399.0140

Molecular Weight: 400.29

Elemental Analysis: C, 48.01; H, 4.53; Br, 19.96; N, 3.50; O, 15.99; S, 8.01

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 300.00	2 Weeks
50mg	USD 940.00	2 Weeks

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Related CAS #

No Data

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

NS3861 fumarate is an agonist of nicotinic acetylcholine receptors (nAChRs) and binds with high affinity to heteromeric α3β4 nAChR.

In vitro activity:

The novel compound NS3861 and cytisine are agonists of nicotinic acetylcholine receptors (nAChRs) and both bind with high affinity to heteromeric α3β4 and α4β2 nAChRs. The maximal efficacy of NS3861 appeared solely dependent on the nature of the ligand-binding domain, whereas efficacy of cytisine was additionally affected by the nature of the β-subunit transmembrane domain. Reference: J Biol Chem. 2013 Jan 25;288(4):2559-70. https://pubmed.ncbi.nlm.nih.gov/23229547/

In vivo activity:

The present study examined whether the increased sensitivity to nicotine could be observed in single enteric neurons after long-term morphine exposure, determined the subunits in mouse enteric neurons, and examined the effect of nicotine in reversing opioid-induced constipation. NS3861, a partial agonist at α3β4 nAChR, enhanced fecal pellet expulsion in a dose-dependent manner in mice that received long-term, but not short-term, morphine treatment. Reference: J Pharmacol Exp Ther. 2016 Jun;357(3):520-8. https://pubmed.ncbi.nlm.nih.gov/27068812/

	Solvent	mg/mL	mM
Solubility
	DMSO	70.0	174.91
	Water	20.0	49.99

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

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:

1. 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. PMID: 23229547; PMCID: PMC3554923. 2. 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. PMID: 27068812; PMCID: PMC4885510.

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. PMID: 27068812; PMCID: PMC4885510.

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.