Cy5-PEG6-NHS ester

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Cy5-PEG6-NHS ester

Cy5-PEG6-NHS ester

Catalog Number A17-0167
Category Cyanine5
Molecular Formula C₅₁H₇₁ClN₄O₁₁
Molecular Weight 951.58
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Product Introduction

Cy5-PEG6-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. Cy5-PEG6-NHS ester can be used in the synthesis of a series of PROTACs.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

Synonyms 1-(1-((2,5-dioxopyrrolidin-1-yl)oxy)-1,23-dioxo-4,7,10,13,16,19-hexaoxa-22-azaoctacosan-28-yl)-3,3-dimethyl-2-((1E,3E)-5-((E)-1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium chloride
Purity 96%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;chloride
SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C.[Cl-]
InChI InChI=1S/C51H70N4O11.ClH/c1-50(2)40-16-11-13-18-42(40)53(5)44(50)20-8-6-9-21-45-51(3,4)41-17-12-14-19-43(41)54(45)27-15-7-10-22-46(56)52-26-29-61-31-33-63-35-37-65-39-38-64-36-34-62-32-30-60-28-25-49(59)66-55-47(57)23-24-48(55)58;/h6,8-9,11-14,16-21H,7,10,15,22-39H2,1-5H3;1H
InChIKey LRPAXAJJSGVXEK-UHFFFAOYSA-N
Solubility DMSO, DMF, DCM

Product Specification

Excitation 646
Emission 662
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 13
Rotatable Bond Count 32
Exact Mass 950.4807868 g/mol
Monoisotopic Mass 950.4807868 g/mol
Topological Polar Surface Area 154Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 1660
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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