IQ 3 - ≥96% , CAS No.312538-03-7

CAS: 312538-03-7 Cat. No.: I287675 Fórmula: C₂₀H₁₁N₃O₃ Peso molecular: 341.32

GRADE & PURITY ≥96%

Synonyms

11H-Indeno[1,2-b]quinoxalin-11-one O-(2-furanylcarbonyl)oxime

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

11H-Indeno[1,2-b]quinoxalin-11-one O-(2-furanylcarbonyl)oxime

Especificações e pureza

≥96%

Mecanismos bioquímicos e fisiológicos

Selective JNK3 inhibitor (Kdvalues are 66, 240 and 290 nM for JNK3, JNK1 and JNK2 respectively). Inhibits NF-κB/AP1 transcriptional activity in THP1-Blue cells (IC50= 1.4μM). Also inhibits TNF-αand IL-6 productionin vitro.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 488195542
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195542
• Sorrisos canónicos: C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3C2=NOC(=O)C5=CC=CO5
• IUPAC Name: [(E)-indeno[1,2-b]quinoxalin-11-ylideneamino] furan-2-carboxylate
• InChIKey: WBSWWONMTZEOGS-PTGBLXJZSA-N
• INCHI: 1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18+
• SMILES isoméricas: C1=CC=C\2C(=C1)C3=NC4=CC=CC=C4N=C3/C2=N/OC(=O)C5=CC=CO5
• Peso molecular: 341.32
• Reaxy-Rn: 22801428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22801428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Furoic acid and derivatives Pyrazines Benzenoids Oxime esters Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Furoic acid or derivatives - Pyrazine - Benzenoid - Furan - Heteroaromatic compound - Oximester - Carboxylic acid salt - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 6.83, Max Conc. mM: 20
• Peso molecular: 341.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 341.08 Da
• Monoisotopic Mass: 341.08 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 581.000
• 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: 1

Perguntas frequentes

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 312538-03-7, the molecular formula is C20H11N3O3, and the molecular weight is 341.32 g/mol. InChIKey WBSWWONMTZEOGS-PTGBLXJZSA-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.