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

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
InChIKey	CMUSUVZYCKASCY-UHFFFAOYSA-M
Solubility	Water, DMSO, DMF, DCM

Excitation	649
Emission	667
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.

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