Azido-PEG9-acid - ≥95% , CAS No.1670249-37-2

CAS: 1670249-37-2 Cat. No.: A412482 Molecular Weight: 511.56

GRADE & PURITY ≥95%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Azido-PEG9-acid is a non-cleavable, 9-unit PEG ADC linker that can be used to synthesize antiboy-coupled active molecules (ADCs). Azido-PEG9-acid is a PROTAC linker belonging to the PEG class that can be used to synthesize PROTAC molecules. Azido-PEG9-acid is a click chemical. It contains Azide groups and can undergo copper-catalyzed azide-alkyne cycloaddition reactions (CuAAc) with molecules containing Alkyne groups. Strain-promoted acetylene-azide cycloaddition reactions (SPAAC) can also occur with molecules containing DBCO or BCN groups.

Specifications

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Azido-PEG9-acid is a non-cleavable 9-unit PEG ADC linker applied in the synthesis of antibody-drug conjugates (ADCs).

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)O
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• InChIKey: SITPDBHRMHFFHS-UHFFFAOYSA-N
• INCHI: 1S/C21H41N3O11/c22-24-23-2-4-28-6-8-30-10-12-32-14-16-34-18-20-35-19-17-33-15-13-31-11-9-29-7-5-27-3-1-21(25)26/h1-20H2,(H,25,26)
• Isomeric SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)O
• Molecular Weight: 511.56
• Reaxy-Rn: 29556818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29556818&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Azo compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo compound - Azo imide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro
• Sensitivity: Light Sensitive
• Molecular Weight: 511.600 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 30
• Exact Mass: 511.274 Da
• Monoisotopic Mass: 511.274 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 497.000
• 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