N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7

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N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7

N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 | 2107273-84-5

Catalog Number A17-0180
Category Cyanine7
Molecular Formula C₄₆H₆₂Cl₂N₈O₆
Molecular Weight 893.94
Catalog Number Size Price Quantity
A17-0180 -- $--

Product Introduction

N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 is a polyethylene glycol (PEG)-based PROTAC linker. N,N'-bis-(azide-PEG3)-chlorocyclohexenyl Cy7 can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 98%
IUPAC Name 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-[(2Z)-2-[3-[(E)-2-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCOCCOCCOCCN=[N+]=[N-])(C)C)CCC3)Cl)CCOCCOCCOCCN=[N+]=[N-])C.[Cl-]
InChI InChI=1S/C46H62ClN8O6.ClH/c1-45(2)38-12-5-7-14-40(38)54(22-26-58-30-34-60-32-28-56-24-20-50-52-48)42(45)18-16-36-10-9-11-37(44(36)47)17-19-43-46(3,4)39-13-6-8-15-41(39)55(43)23-27-59-31-35-61-33-29-57-25-21-51-53-49;/h5-8,12-19H,9-11,20-35H2,1-4H3;1H/q+1;/p-1
InChI Key AGTYTVSFKGQCDO-UHFFFAOYSA-M
Solubility DMSO, DMF, DCM, low solubility in water
  • Product Specification
Excitation 750
Emission 773
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 27
Exact Mass 892.4169371 g/mol
Monoisotopic Mass 892.4169371 g/mol
Topological Polar Surface Area 90.4Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 1540
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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