N-(m-PEG4)-N'-(amino-PEG3)-Cy5

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N-(m-PEG4)-N'-(amino-PEG3)-Cy5

N-(m-PEG4)-N'-(amino-PEG3)-Cy5 | 2107272-96-6

Catalog Number A17-0162
Category Cyanine5
Molecular Formula C₄₂H₆₂ClN₃O₇
Molecular Weight 756.41
Catalog Number Size Price Quantity
A17-0162 -- $--

Product Introduction

N-(m-PEG4)-N'-(amino-PEG3)-Cy5 is a polyethylene glycol (PEG)-based PROTAC linker. N-(m-PEG4)-N'-(amino-PEG3)-Cy5 can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 2-[(1E,3E)-5-[(2E)-1-(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-3H-indol-1-ium chloride
Purity 97%
IUPAC Name 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]ethanamine;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCN)(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI InChI=1S/C42H62N3O7.ClH/c1-41(2)35-13-9-11-15-37(35)44(20-23-48-28-31-51-30-27-47-22-19-43)39(41)17-7-6-8-18-40-42(3,4)36-14-10-12-16-38(36)45(40)21-24-49-29-32-52-34-33-50-26-25-46-5;/h6-18H,19-34,43H2,1-5H3;1H/q+1;/p-1
InChI Key CMUSUVZYCKASCY-UHFFFAOYSA-M
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 10
Rotatable Bond Count 26
Exact Mass 755.4276290 g/mol
Monoisotopic Mass 755.4276290 g/mol
Topological Polar Surface Area 96.9Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1140
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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