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

CAS: 312538-03-7 Cat. No.: I423214 Formule: C₂₀H₁₁N₃O₃ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Type d'action

INHIBITOR

Noms et identifiants

• Pubchem Sid: 528764904
• Sourires canoniques: 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+
• Isomères SMILES: C1=CC=C\2C(=C1)C3=NC4=CC=CC=C4N=C3/C2=N/OC(=O)C5=CC=CO5
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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