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

Catelog 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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