N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5

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N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5

N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5 | CAS 2107273-76-5

Catalog Number A17-0143
Category Cyanine5
Molecular Formula C₆₃H₇₉ClN₄O₁₀
Molecular Weight 1087.78
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Product Introduction

N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5 is a polyethylene glycol (PEG)-based PROTAC linker. N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5 can be used in the synthesis of a series of PROTACs.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

Purity 98%
IUPAC Name N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[2-[(2E,4E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;chloride
SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI InChI=1S/C63H78N4O10.ClH/c1-62(2)53-20-12-15-23-56(53)65(32-35-72-40-43-76-46-45-74-38-37-70-5)58(62)25-7-6-8-26-59-63(3,4)54-21-13-16-24-57(54)66(59)33-36-73-41-44-77-48-47-75-42-39-71-34-30-60(68)64-31-29-61(69)67-49-52-19-10-9-17-50(52)27-28-51-18-11-14-22-55(51)67;/h6-26H,29-49H2,1-5H3;1H
InChIKey RDGUSQKZQVKRJY-UHFFFAOYSA-N
Solubility DMSO, DMF, DCM

Product Specification

Excitation 649
Emission 667
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Application

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 33
Exact Mass 1086.5484724 g/mol
Monoisotopic Mass 1086.5484724 g/mol
Topological Polar Surface Area 130Ų
Heavy Atom Count 78
Formal Charge 0
Complexity 1990
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

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