MRK 560 - Moligand™, ≥99%(HPLC) , CAS No.677772-84-8

CAS: 677772-84-8 Cat. No.: M287545 Peso molecular: 517.92 Número EC: 112-628-3

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

N-[cis-4-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide | N-((1s,4s)-4-((4-chlorophenyl)sulfonyl)-4-(2,5-difluorophenyl)cyclohexyl)-1,1,1-trifluoromethanesulfonamide | MRK-56

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-[cis-4-[(4-Chlorophenyl)sulfonyl]-4-(2, 5-difluorophenyl)cyclohexyl]-1, 1, 1-trifluoromethanesulfonamide | N-((1s, 4s)-4-((4-chlorophenyl)sulfonyl)-4-(2, 5-difluorophenyl)cyclohexyl)-1, 1, 1-trifluoromethanesulfonamide | MRK-56

Especificaciones y pureza

Moligand™, ≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

γ-secretase inhibitor; inhibits proteolytic cleavage of amyloid precursor protein (APP) over the Notch pathway. Reduces levels of Aβin the brain (inhibits Aβ40 and Aβ42 in SH-SY5Y neuroblastoma cells with an IC50of 0.65 nM); attenuates plaque deposition.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488197599
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197599
• Sonrisas canónicas: C1CC(CCC1NS(=O)(=O)C(F)(F)F)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
• IUPAC Name: N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
• InChIKey: WDZVWDXOIGQJIO-UHFFFAOYSA-N
• INCHI: 1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2
• Isómeros SMILES: C1CC(CCC1NS(=O)(=O)C(F)(F)F)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
• Peso molecular: 517.92
• Reaxy-Rn: 19396565
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19396565&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Fluorobenzenes Chlorobenzenes Organosulfonamides Organic sulfonamides Aryl fluorides Aryl chlorides Sulfones Aminosulfonyl compounds Trihalomethanes Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Sulfone - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Organosulfonic acid or derivatives - Sulfonyl - Trihalomethane - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 51.79, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 25.9, Max Conc. mM: 50
• Peso molecular: 517.900 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 517.021 Da
• Monoisotopic Mass: 517.021 Da
• Topological Polar Surface Area: 97.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 856.000
• 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