Azido-PEG3-NHS ester

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Azido-PEG3-NHS ester

Azido-PEG3-NHS ester | CAS 1245718-89-1

Catalog Number R14-0321
Category Azides
Molecular Formula C13H20N4O7
Molecular Weight 344.32
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Product Introduction

Azido-PEG3-NHS 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 nhs/succinimidyl 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

Related CAS 1108750-59-9 (polymer)
Synonyms Azido-PEG3-CH2CO2-NHS; N3-PEG3-C2-NHS ester; N3-PEG3-CH2CH2COONHS Ester; 1-[(3-{2-[2-(2-Azidoethoxy)ethoxy]ethoxy}propanoyl)oxy]-2,5-pyrrolidinedione; 2,5-Pyrrolidinedione, 1-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-oxopropoxy]-; N3-PEG3-SPA; Propanoic acid, 3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
Purity ≥98%
Shelf Life ≥12 months if stored properly
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoate
SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C13H20N4O7/c14-16-15-4-6-22-8-10-23-9-7-21-5-3-13(20)24-17-11(18)1-2-12(17)19/h1-10H2
InChIKey BNLXVOZUEBSSRI-UHFFFAOYSA-N
Solubility Soluble in DCM, DMF, DMSO, Water
Appearance Pale Yellow or Colorless Oily Matter

Product Specification

Storage Store at 2-8°C

Application

Computed Properties

XLogP3 -0.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 14
Exact Mass 344.13319899 g/mol
Monoisotopic Mass 344.13319899 g/mol
Topological Polar Surface Area 106Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 463
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-2023275025-A1 Conjugates comprising phosphoantigens and their use in therapy 2021-06-28
WO-2022212958-A1 Heterobivalent and homobivalent agents targeting fibroblast activation protein alpha and/or prostate-specific membrane antigen 2021-04-02
US-2021395281-A1 Macrocyclic chelates and uses thereof 2020-01-10
US-2022137034-A1 Detection and quantification of small molecules 2019-02-25
WO-2020146521-A2 Rnai agents for inhibiting expression of hif-2 alpha (epas1), compositions thereof, and methods of use 2019-01-09

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