N-(m-PEG4)-N'-(hydroxy-PEG2)-Cy5 | 2107273-12-9

Catelog Number	A17-0138
Category	Cyanine5
Molecular Formula	C40H57ClN2O7
Molecular Weight	713.4

Catalog Number	Size	Price	Quantity
A17-0138	--	$--

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Product Introduction

N-(m-PEG4)-N'-(hydroxy-PEG2)-Cy5 is a cyanine labeled PEG linker with excitation/emmission maximum 649/667 nm containing hydroxyl group, which enables further derivatized or replaced with other reactive functional groups. Hydophilic PEG spacer increases solubility in aqueous media and reduces steric hindrance during binding.

Chemical Information
Synonyms	2-[(1E,3E)-5-[(2E)-3,3-dimethyl-1-(2,5,8,11-tetraoxatridecan-13-yl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,3-dimethyl-3H-indol-1-ium chloride
Purity	97%
IUPAC Name	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]ethanol;chloride
Canonical SMILES	CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCOCCOCCO)C.[Cl-]
InChI	InChI=1S/C40H57N2O7.ClH/c1-39(2)33-13-9-11-15-35(33)41(19-22-45-27-29-47-24-21-43)37(39)17-7-6-8-18-38-40(3,4)34-14-10-12-16-36(34)42(38)20-23-46-28-30-49-32-31-48-26-25-44-5;/h6-18,43H,19-32H2,1-5H3;1H/q+1;/p-1
InChI Key	IZJBQJRLNJOCMH-UHFFFAOYSA-M
Solubility	Water, DMSO, DMF, DCM

Product Specification
Excitation	650
Emission	691
Storage	-20 °C

Computed Properties
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	23
Exact Mass	712.3854299 g/mol
Monoisotopic Mass	712.3854299 g/mol
Topological Polar Surface Area	81.9Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1080
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

Patents

Publication Number	Title	Priority Date
US-2017197916-A1	Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof	2016-01-08
US-9862682-B2	Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof	2016-01-08