MK-0752 - Moligand™, ≥97% , CAS No.471905-41-6

CAS: 471905-41-6 Cat. No.: M126008 Peso molecular: 442.91 Número EC: 684-251-7

GRADE & PURITY Moligand™, ≥97%

Synonyms

3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic Acid | 5-O-Demethyltangeretin | SCHEMBL18288908 | J-520085 | NCGC00263184-02 | SRI-013070 | SW219755-1 | AI3-50107 | 9JD9B4S53T | MFCD21608529 | MK0752 | MK-0752 | Q27272627 | BP-106

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

MK-0752 es un inhibidor potente, activo por vía oral y específico de la γ-secretasa, que muestra una reducción dependiente de la dosis de Aβ40 con un IC50 de 5 nM en células humanas SH-SY5Y. MK-0752 atraviesa la barrera hematoencefálica. MK-0752 reduce el Aβ generado recientemente en el SNC in vivo

Specifications

Sinónimos

3-[4-(4-chlorophenyl)sulfonyl-4-(2, 5-difluorophenyl)cyclohexyl]propanoic Acid | 5-O-Demethyltangeretin | SCHEMBL18288908 | J-520085 | NCGC00263184-02 | SRI-013070 | SW219755-1 | AI3-50107 | 9JD9B4S53T | MFCD21608529 | MK0752 | MK-0752 | Q27272627 | BP-106

Especificaciones y pureza

Moligand™, ≥97%

Mecanismos bioquímicos y fisiológicos

MK-0752 es un potente inhibidor de la gamma secretasa (γ-secretasa) en desarrollo clínico con un IC50 de 5 nM para Aβ40 en células humanas SH-SY5Y. MK-0752 es útil en el tratamiento de la enfermedad de Alzheimer

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504764869
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764869
• Sonrisas canónicas: C1CC(CCC1CCC(=O)O)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
• IUPAC Name: 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid
• InChIKey: XCGJIFAKUZNNOR-UHFFFAOYSA-N
• INCHI: 1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)
• Isómeros SMILES: C1CC(CCC1CCC(=O)O)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
• Peso molecular: 442.91
• Reaxy-Rn: 25469521
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25469521&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbocyclic fatty acids
• Alternative Parents: Benzenesulfonyl compounds Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Carbocyclic fatty acid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Sulfone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organofluoride - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic 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

Propiedades químicas y físicas

• Solubilidad: DMSO 89 mg/mL Water <1 mg/mL Ethanol 45 mg/mL
• Peso molecular: 442.900 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 442.082 Da
• Monoisotopic Mass: 442.082 Da
• Topological Polar Surface Area: 79.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 665.000
• 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