NH2-PEG3-C1-Boc - ≥95% , CAS No.189808-70-6

CAS: 189808-70-6 Cat. No.: N412725 Fórmula: C₁₂H₂₅NO₅ Peso molecular: 263.33

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

NH2-PEG3-C1-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Application：

Applicated in medical research, drug-release, nanotechnology and new materials research, cell culture. In the study of ligand, polypeptide synthesis support, a graft polymer compounds, new materials, and polyethylene glycol-modified functional coatings and other aspects of the active compound.
Monodisperse Amino-PEG3-CH2CO2-t-butyl ester (NH2-PEG3-CH2COOtBu) is a heterobifunctional PEG molecule containing an amino (NH2) group with a t-butyl protected carboxyl group. The hydrophilic PEG spacer increases solubility in aqueous media. The amino group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The t-butyl protected carboxyl group (t-Boc) can be deprotected under acidic conditions.
NH2-PEG3-CH2COOtBu also known as PROTAC Linker 5, can be used as a PROTAC linker, which refers to the alkyl/ether composition.

Specifications

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

NH2-PEG3-C1-Boc is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

CC(C)(C)OC(=O)COCCOCCOCCN

IUPAC Name

tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate

InChIKey

OTTHWLFOQWLZKB-UHFFFAOYSA-N

INCHI

1S/C12H25NO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10,13H2,1-3H3

Isómeros SMILES

CC(C)(C)OC(=O)COCCOCCOCCN

Peso molecular

263.33

Reaxy-Rn

8773187

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8773187&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino acid or derivatives - Carboxylic acid ester - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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: Solubility (25°C) In vitro
• Sensibilidad: Light sensitive;Moisture sensitive.
• Peso molecular: 263.330 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 263.173 Da
• Monoisotopic Mass: 263.173 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 215.000
• 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