CX 614 - Moligand™, ≥98% , CAS No.191744-13-5

CAS: 191744-13-5 Cat. No.: C287317 Formule: C₁₃H₁₃NO₄ Poids moléculaire: 247.25

GRADE & PURITY Moligand™, ≥98%

Synonyms

6a,7,8,9-Tetrahydro-2H-[1,4]dioxino[2',3':4,5]benzo[1,2-e]pyrrolo[2,1-b][1,3]oxazin-11(3H)-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

product description：

CX614 is a positive allosteric modulator of the AMPA receptor concerning AMPA.

Specifications

Synonymes

6a,7,8,9-Tetrahydro-2H-[1,4]dioxino[2',3':4,5]benzo[1,2-e]pyrrolo[2,1-b][1,3]oxazin-11(3H)-one

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

AMPAkine; positive allosteric modulator of AMPA. Prototypical benzamide which occupies subsite A only. Modulates channel deactivation and desensitization.

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.

Grade

Moligand™

Type d'action

MODULATOR

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1CC2N(C1)C(=O)C3=CC4=C(C=C3O2)OCCO4
• IUPAC Name: 4,7,11-trioxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-trien-17-one
• InChIKey: RQEPVMAYUINZRE-UHFFFAOYSA-N
• INCHI: 1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2
• Isomères SMILES: C1CC2N(C1)C(=O)C3=CC4=C(C=C3O2)OCCO4
• Poids moléculaire: 247.25
• Reaxy-Rn: 9779433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9779433&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzoxazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazines
• Alternative Parents: Benzo-1,4-dioxanes Alkyl aryl ethers Para dioxins Benzenoids Tertiary carboxylic acid amides Pyrrolidines Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Benzodioxane - Benzoxazine - Alkyl aryl ether - Benzenoid - Para-dioxin - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
• 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 (humaines)

GRIA1 Tclin Glutamate receptor ionotropic, AMPA 1 (277 Activities)

Discover Target: GRIA1

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: 24.73, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 12.36, Max Conc. mM: 50
• Poids moléculaire: 247.250 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 247.084 Da
• Monoisotopic Mass: 247.084 Da
• Topological Polar Surface Area: 48.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 361.000
• 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