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Varenicline (CP 526555) dihydrochloride - 10mM in DMSO, high purity , CAS No.866823-63-4

COA

Grade & Purity:

10mM in DMSO

Cas Number: 866823-63-4
Molecular Weight: 284.18
PubChem CID: 45263226

In stock

Item Number

V426450

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SKU	Size	Availability	Price	Qty
V426450-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$123.90

nAChR Selective Inhibitors | Agonists | Antagonists | Modulators

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Compound libraries (12325) Ion channel (2197)

Basic Description

Synonyms	866823-63-4 \| Varenicline dihydrochloride \| Varenicline (dihydrochloride) \| Varenicline \| Varenicline-d4 Dihydrochloride (Major) \| CHEMBL556954 \| 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline dihydrochloride \| 7,8,9,10-tetrahydro-6,10-Methano-6H-pyrazino
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Varenicline (CP 526555, Chantix, Champix) dihydrochloride is a potent, partial agonist of α4β2 nicotinic acetylcholine receptor (nAChR) and α3β4 nAChR with EC50 of 2.3 μM and 55 μM, respectively. Varenicline dihydrochloride is a potent, full agonist of α7
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Varenicline (CP 526555, Chantix, Champix) dihydrochloride is a potent, partial agonist ofα4β2 nicotinic acetylcholine receptor (nAChR)andα3β4 nAChRwith EC50 of 2.3 μM and 55 μM, respectively. Varenicline dihydrochloride is a potent, full agonist ofα7 nAChRswith EC50 of 18 μM. Varenicline is a prescription medication used for smoking cessation. Targets α4β2 nAChR (Cell-free assay); α7 nAChRs (Cell-free assay); α3β4 nAChR (Cell-free assay) 2.3 μM(EC50); 18 μM(EC50); 55 μM(EC50)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzazepines
Alternative Parents	Quinoxalines Indanes Azepines Aralkylamines Pyrazines Piperidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzazepine - Quinoxaline - Indane - Azepine - Aralkylamine - Piperidine - Benzenoid - Pyrazine - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organonitrogen compound - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	1.802
HBD Count	1

Names and Identifiers

IUPAC Name	5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene;dihydrochloride
INCHI	InChI=1S/C13H13N3.2ClH/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;;/h1-2,4-5,8-9,14H,3,6-7H2;2*1H
InChIKey	NZVVYNGXLGJKCW-UHFFFAOYSA-N
Smiles	C1C2CNCC1C3=CC4=NC=CN=C4C=C23.Cl.Cl
Isomeric SMILES	C1C2CNCC1C3=CC4=NC=CN=C4C=C23.Cl.Cl
PubChem CID	45263226
Molecular Weight	284.18

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	57
DMSO(mM) Max Solubility	200.577099021747
Water(mg / mL) Max Solubility	57
Water(mM) Max Solubility	200.577099021747
Molecular Weight	284.180 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	283.064 Da
Monoisotopic Mass	283.064 Da
Topological Polar Surface Area	37.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	254.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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