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

Name: N-(m-PEG4)-N'-(amino-PEG3)-Cy5
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	A17-0162
Category	Cyanine5
Molecular Formula	C₄₂H₆₂ClN₃O₇
Molecular Weight	756.41

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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
Product Specification
Computed Properties

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
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
InChIKey	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	96.9Å²
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