ERK Inhibitor III - Moligand™ , Inhibitor of mitogen-activated protein kinase 1, CAS No.331656-92-9, Inhibitor of mitogen-activated protein kinase 1

CAS: 331656-92-9 Cat. No.: E337963 Formule: C₁₂H₁₀N₆O₅ Poids moléculaire: 318.25

GRADE & PURITY Moligand™

Synonyms

1-nitro-2-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

ERK Inhibitor III is a cell-permeable compound that acts as a substrate-, but not ATP-, site-targeting inhibitor of ERK. ERK Inhibitor III selectively inhibits the EGF-stimulated cellular phosphorylation of ERK substrates Rsk-1 and Elk-1, but not that of ERK1/2 or the anisomycin-induced phosphorylation of the p38 substrate ATP-2 in HeLa cells.

Specifications

Synonymes

1-nitro-2-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of mitogen-activated protein kinase 1

Noms et identifiants

• Sourires canoniques: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=NN=C(N)N[N+](=O)[O-]
• IUPAC Name: 1-nitro-2-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine
• InChIKey: RODAAYVFYDKHGT-AUWJEWJLSA-N
• INCHI: 1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-10-4-5-11(23-10)8-2-1-3-9(6-8)17(19)20/h1-7H,(H3,13,15,16)/b14-7-
• Isomères SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=N\N=C(/N)\N[N+](=O)[O-]
• Poids moléculaire: 318.25
• Reaxy-Rn: 49937496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49937496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Nitroguanidines Nitramines Hydrazidines Heteroaromatic compounds Furans Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Nitroguanidine - Furan - Hydrazidine - Nitramine - Heteroaromatic compound - Guanidine - C-nitro compound - Organic nitro compound - Oxacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

Cibles associées (humaines)

MAPK1 Tchem Mitogen-activated protein kinase 1 (1 Activities)

Discover Target: MAPK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO (10 mg/ml).
• Indice de réfraction: n20D1.71 (Predicted)
• Point d'ébullition (°C): ~564.24° C at 760 mmHg (Predicted)
• Point de fusion (°C): 204.21° C (Predicted)