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 | 2107273-76-5

Catelog Number A17-0143
Category Cyanine5
Molecular Formula C₆₃H₇₉ClN₄O₁₀
Molecular Weight 1087.78
Catalog Number Size Price Quantity
A17-0143 -- $--

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

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
Canonical 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
InChI Key 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.

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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