FIN 56 - ≥98% , CAS No.1083162-61-1

CAS: 1083162-61-1 Cat. No.: F288478 Molecular Weight: 517.66

GRADE & PURITY ≥98%

Synonyms

N2,N7-Dicyclohexyl-9-(hydroxyimino)-9H-fluorene-2,7-disulfonamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N2, N7-Dicyclohexyl-9-(hydroxyimino)-9H-fluorene-2, 7-disulfonamide

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Bifunctional inducer of ferroptosisin vitro. Activates squalene synthase (SQS) leading to coenzyme Q10depletion. Also induces degradation of glutathione peroxidase 4 (GPX4), via acetyl-CoA carboxylase (ACC).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488202662
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202662
• Canonical Smiles: C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)NC5CCCCC5
• IUPAC Name: 2-N,7-N-dicyclohexyl-9-hydroxyiminofluorene-2,7-disulfonamide
• InChIKey: JLCFMMIWBSZOIS-UHFFFAOYSA-N
• INCHI: 1S/C25H31N3O5S2/c29-26-25-23-15-19(34(30,31)27-17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)35(32,33)28-18-9-5-2-6-10-18/h11-18,27-29H,1-10H2
• Molecular Weight: 517.66
• Reaxy-Rn: 33270085
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33270085&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Organosulfonamides Ketoximes Aminosulfonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketoxime - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 51.77, Max Conc. mM: 100
• Molecular Weight: 517.700 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 517.171 Da
• Monoisotopic Mass: 517.171 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 900.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1