Talidomida 4'-éter-alquilC8-ácido - ≥95%(HPLC) , CAS No.2225148-51-4

CAS: 2225148-51-4 Cat. No.: T288489 Fórmula: C₂₂H₂₆N₂O₇ Peso molecular: 430.46 PubChem CID: 139433330

GRADE & PURITY ≥95%(HPLC)

Synonyms

9-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]nonanoic acid | Thalidomide-O-C8-COOH

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Application

230

Specifications

Sinónimos

9-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]nonanoic acid | Thalidomide-O-C8-COOH

Especificaciones y pureza

≥95%(HPLC)

Mecanismos bioquímicos y fisiológicos

Ligando cereblón funcionalizado para investigación y desarrollo PROTAC®; incorpora un ligando E3 ligasa más un enlazador alquilC8 con un ácido carboxílico terminal listo para conjugarse con un ligando de proteína diana. Forma parte de una gama de molécula

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C,cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥95%(HPLC)

Nombres e identificadores

Pubchem Sid

528772865

Sonrisas canónicas

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCCCC(=O)O

IUPAC Name

9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoic acid

InChIKey

JDVPWEYIVOQCDX-UHFFFAOYSA-N

INCHI

1S/C22H26N2O7/c25-17-12-11-15(20(28)23-17)24-21(29)14-8-7-9-16(19(14)22(24)30)31-13-6-4-2-1-3-5-10-18(26)27/h7-9,15H,1-6,10-13H2,(H,26,27)(H,23,25,28)

PubChem CID

139433330

Peso molecular

430.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Piperidinediones Heterocyclic fatty acids Delta lactams Alkyl aryl ethers N-substituted carboxylic acid imides N-acyl amines Benzenoids N-unsubstituted carboxylic acid imides Dicarboximides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Piperidinedione - Piperidinone - Heterocyclic fatty acid - Delta-lactam - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - N-acyl-amine - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

• Peso molecular: 430.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 430.174 Da
• Monoisotopic Mass: 430.174 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 723.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1