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

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

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

Catalog Number A17-0142
Category Cyanine5
Molecular Formula C₄₉H₆₇ClN₄O₁₀
Molecular Weight 907.53
Catalog Number Size Price Quantity
A17-0142 -- $--

Product Introduction

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

Chemical Information

Purity 98%
IUPAC Name 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)C.[Cl-]
InChI InChI=1S/C49H66N4O10.ClH/c1-48(2)39-13-9-11-15-41(39)51(24-27-59-32-35-62-34-31-58-26-22-50-45(54)21-23-53-46(55)19-20-47(53)56)43(48)17-7-6-8-18-44-49(3,4)40-14-10-12-16-42(40)52(44)25-28-60-33-36-63-38-37-61-30-29-57-5;/h6-20H,21-38H2,1-5H3;1H
InChI Key KQINBUJCBKWMHU-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 12
Rotatable Bond Count 30
Exact Mass 906.4545720 g/mol
Monoisotopic Mass 906.4545720 g/mol
Topological Polar Surface Area 137Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 1590
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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