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GTS-21 dihydrochloride

CAT: 0957-E1876-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E1876-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
156223-05-1
Synonyms
DMXB-A, DMBX-anabaseine
Target
AChR
Applications
Neuronal Signaling
Molecular Formula
C19H20N2O2.2ClH
Additionnal Information
GTS-21 dihydrochloride (DMXB-A, DMBX-anabaseine) is a selective agonist of alpha7 nicotinic acetylcholine receptor (α7-nAChR) and exhibits anti‐inflammatory and cognition‐enhancing activities. GTS-21 dihydrochloride is also an antagonist of α4β2 with a Ki value of 20 nM for humanα4β2 and 5-HT3A receptor with an IC50 value of 3.1 μM.

Chemical Information

Dmxb-a
CAS Number156223-05-1
PubChem CID25259372
IUPAC Name3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;hydrochloride
Molecular FormulaC19H21ClN2O2
Molecular Weight344.8
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity447
SMILES
COC1=CC(=C(C=C1)/C=C/2\CCCN=C2C3=CN=CC=C3)OC.Cl
InChI
InChI=1S/C19H20N2O2.ClH/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16;/h3,6-9,11-13H,4-5,10H2,1-2H3;1H/b15-11+;
InChIKey
FNVCHJIVFOPCGS-KRWCAOSLSA-N
Chemical Structure
2D Structure
2D structure of Dmxb-a
CAS: 156223-05-1
CID: 25259372
Formula: C19H21ClN2O2
MW: 344.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass344.1291556
Monoisotopic Mass344.1291556
Topological Polar Surface Area43.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3608077-01GTS 21 dihydrochloride
E1876-1gGTS-21 dihydrochloride
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217406GTS-21 Dihydrochloride (DMBX-A, (E) -3- (2,4-dimethoxybenzylidene) -3,4,5,6-tetrahydro-2,3'-bipyridine, DMBX-A, alpha7 nAChR Agonist, GTS-21, Alpha 7 Nicotinic Acetylcholine Receptor Agonist, GTS-21)
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