IQ 3 - 10mM in DMSO , CAS No.312538-03-7

CAS: 312538-03-7 Cat. No.: I423214 Fórmula: C₂₀H₁₁N₃O₃ Peso molecular: 341.32

GRADE & PURITY 10mM in DMSO

Synonyms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

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

Especificações e pureza

10mM in DMSO

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 -80°C

Enviado em

Dry ice packs + Cold packs

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

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

528764904

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

• 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