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

CAS: 312538-03-7 Cat. No.: I423214 Formula: C₂₀H₁₁N₃O₃ Molecular Weight: 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

Synonyms

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

Pubchem Sid

528764904

Canonical Smiles

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+

Isomeric SMILES

C1=CC=C\2C(=C1)C3=NC4=CC=CC=C4N=C3/C2=N/OC(=O)C5=CC=CO5

Molecular Weight

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
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Molecular Weight: 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