N-(m-PEG9)-N'-(PEG5-acid)-Cy5

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N-(m-PEG9)-N'-(PEG5-acid)-Cy5

N-(m-PEG9)-N'-(PEG5-acid)-Cy5 | 2107273-26-5

Catalog Number A17-0173
Category Cyanine5
Molecular Formula C₅₇H₈₉ClN₂O₁₆
Molecular Weight 1093.77
Catalog Number Size Price Quantity
A17-0173 -- $--

Product Introduction

N-(m-PEG9)-N'-(PEG5-acid)-Cy5 is a polyethylene glycol (PEG)-based PROTAC linker. N-(m-PEG9)-N'-(PEG5-acid)-Cy5 can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 97%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-[5-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOCCOCCOCCOCCOCCOC)(C)C)CCOCCOCCOCCOCCOCCC(=O)O)C.[Cl-]
InChI InChI=1S/C57H88N2O16.ClH/c1-56(2)49-13-9-11-15-51(49)58(20-23-64-28-31-68-36-39-71-38-35-67-30-27-63-22-19-55(60)61)53(56)17-7-6-8-18-54-57(3,4)50-14-10-12-16-52(50)59(54)21-24-65-29-32-69-37-40-72-43-44-74-47-48-75-46-45-73-42-41-70-34-33-66-26-25-62-5;/h6-18H,19-48H2,1-5H3;1H
InChI Key UGQMQMLGHBYOHY-UHFFFAOYSA-N
Solubility Water, 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 18
Rotatable Bond Count 48
Exact Mass 1092.5900624 g/mol
Monoisotopic Mass 1092.5900624 g/mol
Topological Polar Surface Area 173Ų
Heavy Atom Count 76
Formal Charge 0
Complexity 1590
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 3
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
US-2017197916-A1 Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof 2016-01-08
US-9862682-B2 Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof 2016-01-08
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