GT 949 - ≥96% , CAS No.460330-27-2

CAS: 460330-27-2 Cat. No.: G286915 Molecular Weight: 527.66

GRADE & PURITY ≥96%

Synonyms

GT949 | GT-949 | 3-[(4-Cyclohexyl-1-piperazinyl)[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl]-6-methoxy-2(1H)-quinolinone | 3-((4-Cyclohexylpiperazin-1-yl)(1-phenethyl-1H-tetrazol-5-yl)methyl)-6-methoxyquinolin-2(1H)-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

GT949 | GT-949 | 3-[(4-Cyclohexyl-1-piperazinyl)[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl]-6-methoxy-2(1H)-quinolinone | 3-((4-Cyclohexylpiperazin-1-yl)(1-phenethyl-1H-tetrazol-5-yl)methyl)-6-methoxyquinolin-2(1H)-one

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

GT949 is a potent and selective positive allosteric modulator (PAM) of the excitatory amino acid transporter EAAT2 (glutamate uptake EC50 = 0.26 nM; COS-7 EAAT2 transfectant), but not EAAT1 or EAAT3. GT949 enhances glutamate uptake of cultured rat astrocy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504762498
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762498
• Canonical Smiles: COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6CCCCC6
• IUPAC Name: 3-[(4-cyclohexylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
• InChIKey: ZVWPOIUAPXDLMB-UHFFFAOYSA-N
• INCHI: 1S/C30H37N7O2/c1-39-25-12-13-27-23(20-25)21-26(30(38)31-27)28(36-18-16-35(17-19-36)24-10-6-3-7-11-24)29-32-33-34-37(29)15-14-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20-21,24,28H,3,6-7,10-11,14-19H2,1H3,(H,31,38)
• Isomeric SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6CCCCC6
• Molecular Weight: 527.66
• Reaxy-Rn: 33235801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33235801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Anisoles Pyridinones N-alkylpiperazines Cyclohexylamines Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Tetrazoles Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Anisole - Phenol ether - Alkyl aryl ether - Cyclohexylamine - Aralkylamine - Pyridinone - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Azole - Tetrazole - Lactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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

Associated Targets(non-human)

Slc1a2 Excitatory amino acid transporter 2 (39 Activities)

Discover Target: Slc1a2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 52.77, Max Conc. mM: 100
• Molecular Weight: 527.700 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 527.301 Da
• Monoisotopic Mass: 527.301 Da
• Topological Polar Surface Area: 88.400 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 835.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1