Clorhidrato de talidomida-O-amido-PEG4-C2-NH2 - ≥95%(HPLC) , CAS No.2245697-85-0

CAS: 2245697-85-0 Cat. No.: T288640 Peso molecular: 587.02 Número EC: 961-882-9 PubChem CID: 134160247

GRADE & PURITY ≥95%(HPLC)

Synonyms

Thalidomide - linker 2 | N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetamide hydrochloride

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Application

PROTAC

Descripción general

El clorhidrato de talidomida-O-amido-PEG4-C2-NH2, un conjugado ligando-enlazador de E3 ligasa sintetizado que incorpora el ligando cereblón basado en talidomida y un enlazador, puede utilizarse en la síntesis de PROTACs。

Specifications

Sinónimos

Thalidomide - linker 2 | N-(14-Amino-3, 6, 9, 12-tetraoxatetradec-1-yl)-2-[[2-(2, 6-dioxo-3-piperidinyl)-2, 3-dihydro-1, 3-dioxo-1H-isoindol-4-yl]oxy]acetamide hydrochloride

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 PEG listo para conjugación con un ligando de proteína diana. Forma parte de una gama de moléculas herramienta funcionalizadas para la

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥95%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCOCCN.Cl
• IUPAC Name: N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
• InChIKey: YHQOQBFOLKFJJN-UHFFFAOYSA-N
• INCHI: 1S/C25H34N4O10.ClH/c26-6-8-35-10-12-37-14-15-38-13-11-36-9-7-27-21(31)16-39-19-3-1-2-17-22(19)25(34)29(24(17)33)18-4-5-20(30)28-23(18)32;/h1-3,18H,4-16,26H2,(H,27,31)(H,28,30,32);1H
• PubChem CID: 134160247
• Peso molecular: 587.02

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 Maleimides Delta lactams Alkyl aryl ethers N-substituted carboxylic acid imides N-acyl amines Benzenoids Pyrrolines N-unsubstituted carboxylic acid imides Dicarboximides Dialkyl ethers Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Piperidinedione - Maleimide - Piperidinone - Delta-lactam - Alkyl aryl ether - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - N-acyl-amine - Pyrroline - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Carboxamide group - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - 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

• Sensibilidad: Light sensitive；Moisture sensitive.
• Peso molecular: 587.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 18
• Exact Mass: 586.204 Da
• Monoisotopic Mass: 586.204 Da
• Topological Polar Surface Area: 185.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 857.000
• 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: 2

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