GTS-21 dihydrochloride (DMBX-A) - ≥98% , CAS No.156223-05-1

CAS: 156223-05-1 Cat. No.: G275216 Molecular Weight: 381.3 PubChem CID: 6438361

GRADE & PURITY ≥98%

Synonyms

AKOS037515500 | SCHEMBL8003 | DMXB | DANSYLAMIDE [FOR FLUOROMETRY] | Gts 21 | GTS-21 2HCl | GTS-21 (dihydrochloride) | (E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine dihydrochloride | 3-(3-(2,4-dimethoxybenzyl)-3,4,5,6-tetrahydr

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

AKOS037515500 | SCHEMBL8003 | DMXB | DANSYLAMIDE [FOR FLUOROMETRY] | Gts 21 | GTS-21 2HCl | GTS-21 (dihydrochloride) | (E)-3-((2, 4-Dimethoxyphenyl)methylene)-3, 4, 5, 6-tetrahydro-2, 3'-bipyridine dihydrochloride | 3-(3-(2, 4-dimethoxybenzyl)-3, 4, 5, 6-tetrahydr

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Partial agonist at α7nACh receptors. Binds selectively to α7 subunits, with no significant activity seen at α2, α3 and α4. (EC 50 = 10 μM in vitro (striatal slices)). Shown to elicit nootropic, neuroprotective and anti-inflammatory effects.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764180
• Canonical Smiles: COC1=CC(=C(C=C1)C=C2CCCN=C2C3=CN=CC=C3)OC.Cl.Cl
• IUPAC Name: 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
• InChIKey: BXKYFUGAAFLYJL-BXGYHSFXSA-N
• INCHI: 1S/C19H20N2O2.2ClH/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;2*1H/b15-11+
• Isomeric SMILES: COC1=CC(=C(C=C1)/C=C/2\CCCN=C2C3=CN=CC=C3)OC.Cl.Cl
• PubChem CID: 6438361
• Molecular Weight: 381.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Tetrahydropyridines Alkyl aryl ethers Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Tetrahydropyridine - Hydropyridine - Pyridine - Heteroaromatic compound - Ketimine - Ether - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Imine - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Solubility: Soluble in water to 100 mM and in DMSO to 100 mM
• Molecular Weight: 381.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 380.106 Da
• Monoisotopic Mass: 380.106 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 447.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

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