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Cyclooctyne-O-amido-PEG2-PFP ester

CAT: 0013-GTR19222299-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222299-01Size:100 mg
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Description
This reagent is a non-cleavable, PEG2-based linker featuring a cyclooctyne group for bioorthogonal conjugation and a PFP ester for amine coupling. It is primarily used in ADC research to construct stable antibody-drug conjugates for both in vitro and in vivo therapeutic studies.
CAS Number
2101206-61-3
Field of Research
Metabolism Research
Smiles
Fc1c (F) c (F) c (OC (=O) CCOCCOCCNC (=O) COC2CCCCCC#C2) c (F) c1F
Molecular Formula
C23H26F5NO6
Molecular Weight
507.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclooctyne-O-amido-PEG2-PFP ester
CAS Number2101206-61-3
PubChem CID129896977
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]propanoate
Molecular FormulaC23H26F5NO6
Molecular Weight507.4
XLogP3.1
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count35
Formal Charge0
Complexity716
SMILES
C1CCC#CC(CC1)OCC(=O)NCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C23H26F5NO6/c24-18-19(25)21(27)23(22(28)20(18)26)35-17(31)8-10-32-12-13-33-11-9-29-16(30)14-34-15-6-4-2-1-3-5-7-15/h15H,1-4,6,8-14H2,(H,29,30)
InChIKey
NXWUCOZPGDXYSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclooctyne-O-amido-PEG2-PFP ester
CAS: 2101206-61-3
CID: 129896977
Formula: C23H26F5NO6
MW: 507.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass507.16802836
Monoisotopic Mass507.16802836
Topological Polar Surface Area83.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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