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

Catelog 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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