Propargyl-PEG4-NHS ester

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Propargyl-PEG4-NHS ester

Propargyl-PEG4-NHS ester | CAS 1428629-70-2

Catalog Number R01-0228
Category Alkynes
Molecular Formula C16H23NO8
Molecular Weight 357.35
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Product Introduction

Propargyl-PEG4-NHS ester is a PEG-containing bioorthogonal conjugation building block that provides an 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 nhs/succinimidyl ester (amine-reactive) for antibody lysines/primary amines. The structure includes peg4 spacer to provide hydrophilic spacing. Conjugation can be performed using cuaac with an azide-functionalized partner; use orthogonal terminal group for the other conjugation step. 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 Alkyne-PEG4-NHS;2,5-dioxopyrrolidin-1-yl 4,7,10,13-tetraoxahexadec-15-yn-1-oate;
Purity ≥98%
IUPAC Name
SMILES C#CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI InChI=1S/C16H23NO8/c1-2-6-21-8-10-23-12-13-24-11-9-22-7-5-16(20)25-17-14(18)3-4-15(17)19/h1H,3-13H2
InChIKey GRIZGOGILWMGRU-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
Density 1.2±0.1 g/cm3
Appearance Soild powder
Boiling Point 463.1±55.0 °C at 760 mmHg
Vapor Pressure 0.0±1.1 mmHg at 25°C
LogP -2.32

Product Specification

Excitation 678
Emission 694
Storage -20 °C

Application

Computed Properties

XLogP3 -1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 15
Exact Mass 357.14236669 g/mol
Monoisotopic Mass 357.14236669 g/mol
Topological Polar Surface Area 101Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 468
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
WO-2022263944-A1 Azido-containing monomers, polymers, and articles 2021-06-16
WO-2022133281-A1 Compositions and methods for the treatment of human immunodeficiency virus 2020-12-17
US-10689430-B2 Insulin receptor partial agonists 2016-05-25
US-2019177393-A1 Insulin receptor partial agonists 2016-05-25
WO-2017205309-A1 Insulin receptor partial agonists 2016-05-25

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