DBCO-PEG3-Biotin

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DBCO-PEG3-Biotin

DBCO-PEG3-Biotin

Catalog Number R01-0291
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C37H47N5O7S
Molecular Weight 705.32
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Product Introduction

DBCO-PEG3-Biotin features a dibenzocyclooctyne (DBCO) moiety, which facilitates strain-promoted azide-alkyne cycloaddition reactions, making it suitable for copper-free click chemistry applications. The polyethylene glycol (PEG3) spacer in its structure enhances solubility and provides flexibility, allowing efficient bioconjugation processes with minimal steric hindrance. This reagent is commonly used for the biotinylation of azide-functionalized biomolecules, enabling subsequent affinity purification or detection through streptavidin-based systems.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

Purity >95%
IUPAC Name 1-[5-methoxy-2-nitro-4-[4-oxo-4-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]butoxy]phenyl]ethyl N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamate
SMILES CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)OC)OC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C50H63N7O13S/c1-34(70-50(62)53-20-19-47(60)56-32-37-12-4-3-10-35(37)17-18-36-11-5-6-13-40(36)56)38-30-42(65-2)43(31-41(38)57(63)64)69-23-9-16-46(59)52-22-25-67-27-29-68-28-26-66-24-21-51-45(58)15-8-7-14-44-48-39(33-71-44)54-49(61)55-48/h3-6,10-13,30-31,34,39,44,48H,7-9,14-16,19-29,32-33H2,1-2H3,(H,51,58)(H,52,59)(H,53,62)(H2,54,55,61)
InChIKey QHTIWGZNJOYQBJ-UHFFFAOYSA-N
Solubility DCM, THF, acetonitrile, DMF and DMSO
Appearance Light yellow oil

Product Specification

Storage -20 °C

Application

Computed Properties

XLogP3 3.2
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 29
Exact Mass 1001.42045626 g/mol
Monoisotopic Mass 1001.42045626 g/mol
Topological Polar Surface Area 275Ų
Heavy Atom Count 71
Formal Charge 0
Complexity 1800
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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