GT 949 - ≥96% , CAS No.460330-27-2

CAS: 460330-27-2 Cat. No.: G286915 Formule: C₃₀H₃₇N₇O₂ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥96%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504762498

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762498

Sourires canoniques

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)

Isomères SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6CCCCC6

Poids moléculaire

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
    • Classe Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 52.77, Max Conc. mM: 100
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 460330-27-2, the molecular formula is C30H37N7O2, and the molecular weight is 527.66 g/mol. InChIKey ZVWPOIUAPXDLMB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.