DBCO-PEG6-amine

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DBCO-PEG6-amine

DBCO-PEG6-amine | 2353409-98-8

Catalog Number R01-0404
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₃₃H₄₅N₃O₈
Molecular Weight 611.73
Catalog Number Size Price Quantity
R01-0404 -- $--

Product Introduction

DBCO-PEG6-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG6-amine can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms DBCO-PEG6-amine TFA salt
Purity 98%
IUPAC Name N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCN
InChI InChI=1S/C33H45N3O8/c34-13-15-39-17-19-41-21-23-43-25-26-44-24-22-42-20-18-40-16-14-35-32(37)11-12-33(38)36-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)36/h1-8H,11-27,34H2,(H,35,37)
InChI Key SHIACZLTEDAJEG-UHFFFAOYSA-N
Solubility Water, DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 23
Exact Mass 611.32066540 g/mol
Monoisotopic Mass 611.32066540 g/mol
Topological Polar Surface Area 131Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 863
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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