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

CAS: 191744-13-5 Cat. No.: C287317 分子式: C₁₃H₁₃NO₄ 分子量: 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

概要

product description：

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

Specifications

同義語

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

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

MODULATOR

純度

≥98%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: C1CC2N(C1)C(=O)C3=CC4=C(C=C3O2)OCCO4
• 分子量: 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
    • 分類 Benzoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 24.73, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 12.36, Max Conc. mM: 50
• 分子量: 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