Desthiobiotin-PEG4-propargyl , CAS No.1951424-89-7

CAS: 1951424-89-7 Cat. No.: D1449516 Molecular Weight: 427.53 PubChem CID: 91757776

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Desthiobiotin-PEG4-propargyl is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs. Desthiobiotin-PEG4-propargyl is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Specifications

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Names and Identifiers

• Canonical Smiles: CC1C(NC(=O)N1)CCCCCC(=O)NCCOCCOCCOCCOCC#C
• IUPAC Name: 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
• InChIKey: CQSNBVBVAYQBHF-RBUKOAKNSA-N
• INCHI: 1S/C21H37N3O6/c1-3-10-27-12-14-29-16-17-30-15-13-28-11-9-22-20(25)8-6-4-5-7-19-18(2)23-21(26)24-19/h1,18-19H,4-17H2,2H3,(H,22,25)(H2,23,24,26)/t18-,19+/m0/s1
• Isomeric SMILES: C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)NCCOCCOCCOCCOCC#C
• PubChem CID: 91757776
• Molecular Weight: 427.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl amines
• Alternative Parents: Imidazolidinones Ureas Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidazolidinone - N-acyl-amine - Imidazolidine - Carboxamide group - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Acetylide - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• 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