ERK inhibitor III - Moligand™, ≥98% , Inhibitor of mitogen-activated protein kinase 1, CAS No.345616-52-6, Inhibitor of mitogen-activated protein kinase 1

CAS: 345616-52-6 Cat. No.: E610181 Formula: C₁₂H₁₀N₆O₅ Molecular Weight: 318.24 PubChem CID: 5339183

GRADE & PURITY Moligand™, ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™, ≥98%

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of mitogen-activated protein kinase 1

Purity

≥98%

Names and Identifiers

Canonical Smiles

[O-][N+](=O)N/C(=N/N=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/N

IUPAC Name

1-nitro-2-[[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-

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=N\N=C(/N)\N[N+](=O)[O-]

PubChem CID

5339183

Molecular Weight

318.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

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)