N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy3 | 2107273-64-1

Catalog Number	A17-0128
Category	Other Cyanine
Molecular Formula	C44H66ClN5O10
Molecular Weight	860.5

Catalog Number	Size	Price	Quantity
A17-0128	--	$--

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Product Introduction

N-methyl-N'-methyl-O-(m-PEG4)-O'-(azide-PEG4)-Cy3 is a PEG linker containing cyanine dye with excitation/emmission maximum 555/570 nm as well as an azide group, which enables Click Chemistry. The hydophilic PEG spacer increases solubility in aqueous media.

Chemical Information
Purity	98%
IUPAC Name	2-[(E,3E)-3-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]prop-1-enyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium;chloride
Canonical SMILES	CC1(C2=C(C=CC(=C2)OCCOCCOCCOCCOC)[N+](=C1C=CC=C3C(C4=C(N3C)C=CC(=C4)OCCOCCOCCOCCOCCN=[N+]=[N-])(C)C)C)C.[Cl-]
InChI	InChI=1S/C44H66N5O10.ClH/c1-43(2)37-33-35(58-31-29-56-27-25-54-22-21-52-18-17-50-7)11-13-39(37)48(5)41(43)9-8-10-42-44(3,4)38-34-36(12-14-40(38)49(42)6)59-32-30-57-28-26-55-24-23-53-20-19-51-16-15-46-47-45;/h8-14,33-34H,15-32H2,1-7H3;1H/q+1;/p-1
InChI Key	FHRNKBLFTPHSBL-UHFFFAOYSA-M
Solubility	Water, DMSO, DMF, DCM

Product Specification

Excitation	555
Emission	570
Storage	-20 °C

Computed Properties
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	31
Exact Mass	859.4498210 g/mol
Monoisotopic Mass	859.4498210 g/mol
Topological Polar Surface Area	113Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1340
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
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