N-(m-PEG4)-N'-hydroxypropyl-Cy5 | 2107273-20-9

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

Catalog Number	A17-0137
Category	Cyanine5
Molecular Formula	C37H51ClN2O5
Molecular Weight	639.3

Catalog Number	Size	Price	Quantity
A17-0137	--	$--

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Product Introduction

N-(m-PEG4)-N'-hydroxypropyl-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
Product Specification

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-(3-hydroxypropyl)-3,3-dimethyl-3H-indol-1-ium chloride
Purity	97%
IUPAC Name	3-[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]propan-1-ol;chloride
Canonical SMILES	CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCCO)C.[Cl-]
InChI	InChI=1S/C37H51N2O5.ClH/c1-36(2)30-14-9-11-16-32(30)38(20-13-22-40)34(36)18-7-6-8-19-35-37(3,4)31-15-10-12-17-33(31)39(35)21-23-42-26-27-44-29-28-43-25-24-41-5;/h6-12,14-19,40H,13,20-29H2,1-5H3;1H/q+1;/p-1
InChI Key	FKGCBDKCXSNHNK-UHFFFAOYSA-M
Solubility	Water, DMSO, DMF, DCM

Excitation	649
Emission	667
Storage	-20 °C

Computed Properties
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	18
Exact Mass	638.3486504 g/mol
Monoisotopic Mass	638.3486504 g/mol
Topological Polar Surface Area	63.4Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1000
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