Azido-PEG5-NHS ester

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Azido-PEG5-NHS ester

Azido-PEG5-NHS ester | 1433996-86-1

Catalog Number R14-0319
Category Azides
Molecular Formula C17H28N4O9
Molecular Weight 432.43
Catalog Number Size Price Quantity
R14-0319 -- $--

Product Introduction

Azido-PEG5-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. Azido-PEG5-NHS ester can be used in the synthesis of a series of PROTACs.

Chemical Information

Related CAS 1108750-59-9 (polymer)
Synonyms Azido-PEG5-CH2CO2-NHS; N3-PEG5-C2-NHS ester; N3-PEG5-CH2CH2COONHS Ester; 1-[(1-Azido-18-oxo-3,6,9,12,15-pentaoxaoctadecan-18-yl)oxy]-2,5-pyrrolidinedione; 2,5-dioxopyrrolidin-1-yl 1-azido-3,6,9,12,15-pentaoxaoctadecan-18-oate
Purity >95%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C17H28N4O9/c18-20-19-4-6-26-8-10-28-12-14-29-13-11-27-9-7-25-5-3-17(24)30-21-15(22)1-2-16(21)23/h1-14H2
InChI Key UBITXOFSGXNPBW-UHFFFAOYSA-N
Solubility Soluble in DMSO
Appearance Pale Yellow or Colorless Oily Liquid
  • Product Specification
Storage Store at 2-8°C

Computed Properties

XLogP3 -0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 20
Exact Mass 432.18562848 g/mol
Monoisotopic Mass 432.18562848 g/mol
Topological Polar Surface Area 124Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 553
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 NumberTitlePriority Date
WO-2022169780-A1 Selective bcl-xl protac compounds and methods of use 2021-02-02
WO-2022148979-A1 Methods for treating cancer 2021-01-11
KR-102295498-B1 Polymer stent surface treatment method 2019-12-03
KR-20210069278-A Polymer stent surface treatment method 2019-12-03
US-2021101937-A1 Heterotandem bicyclic peptide complexes 2019-10-03
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