Azido-PEG3-PFP ester

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Azido-PEG3-PFP ester

Azido-PEG3-PFP ester | CAS 1807530-07-9

Catalog Number R14-0298
Category Azides
Molecular Formula C15H16F5N3O5
Molecular Weight 413.30
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Product Introduction

Azido-PEG3-PFP ester is a PEG-containing bioorthogonal conjugation building block that provides an azide 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 peg3 spacer to provide hydrophilic spacing. Conjugation can be performed using spaac with dbco/bcn-functionalized partner or cuaac with terminal alkyne partner, depending the complementary handle. 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

  • Patents

Chemical Information

Synonyms perfluorophenyl 3-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)propanoate;
Purity ≥98%
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoate
SMILES C(COCCOCCOCCN=[N+]=[N-])C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI InChI=1S/C15H16F5N3O5/c16-10-11(17)13(19)15(14(20)12(10)18)28-9(24)1-3-25-5-7-27-8-6-26-4-2-22-23-21/h1-8H2
InChIKey ZBZNPFUVVAAJIK-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
Appearance Soild powder

Product Specification

Storage -20 °C

Application

Computed Properties

XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 14
Exact Mass 413.10101143 g/mol
Monoisotopic Mass 413.10101143 g/mol
Topological Polar Surface Area 68.4Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 499
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication Number Title Priority Date
US-2017107289-A1 Intracellular delivery compounds 2015-10-20
JP-2018500049-A Targeting XTEN conjugate composition and method of making same 2014-11-11
JP-2018127496-A XTEN conjugate composition and method for producing the same 2012-02-27
JP-2018130123-A XTEN conjugate composition and method for producing the same 2012-02-27
JP-2020114234-A XTEN conjugated composition and method of making same 2012-02-27

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