endo-BCN-PEG2-PFP ester

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endo-BCN-PEG2-PFP ester

endo-BCN-PEG2-PFP ester | CAS 1421932-53-7

Catalog Number R16-0020
Category BCN Reagents
Molecular Formula C24H26F5NO6
Molecular Weight 519.46
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Product Introduction

endo-BCN-PEG2-PFP ester is a PEG-containing bioorthogonal conjugation building block that provides a BCN strained-alkyne handle for modular click-chemistry workflows. The molecule can be used to introduce a click-reactive group onto an antibody, peptide, linker intermediate, or payload-containing component, depending on the chemistry of its second terminal functionality. Its additional reactive group is pfp ester (amine-reactive) for antibody lysines/primary amines. The structure includes peg2 spacer to provide hydrophilic spacing. Conjugation can be performed using spaac with an azide-functionalized antibody or payload; use the second terminal group for orthogonal coupling. The sequence and orientation of the coupling steps should be selected according to the functional groups carried by the two conjugation partners.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

Synonyms perfluorophenyl 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azatridecan-13-oate;
Purity ≥98%
IUPAC Name
SMILES C1CC2C(C2COC(=O)NCCOCCOCCC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)CCC#C1
InChI InChI=1S/C24H26F5NO6/c25-18-19(26)21(28)23(22(29)20(18)27)36-17(31)7-9-33-11-12-34-10-8-30-24(32)35-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13H2,(H,30,32)
InChIKey OQSLFTLVSWOAIW-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
Appearance Soild powder

Product Specification

Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Application

Computed Properties

XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 14
Exact Mass 519.16802836 g/mol
Monoisotopic Mass 519.16802836 g/mol
Topological Polar Surface Area 83.1Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 772
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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