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M-PEG8-ethoxycarbonyl-NHS ester

CAT: 0013-GTR19225400-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225400-01Size:100 mg
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Description
M-PEG8-ethoxycarbonyl-NHS ester is a heterobifunctional PEG linker used to conjugate ligands in PROTAC synthesis. It enables the construction of molecules for targeted protein degradation, a strategy applied in both cellular and in vivo cancer research to probe disease mechanisms.
CAS Number
2353409-76-2
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (ON1C (=O) CCC1=O) CCC (=O) OCCOCCOCCOCCOCCOCCOCCOCCOC
Molecular Formula
C25H43NO14
Molecular Weight
581.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(m-PEG8-ethoxycarbonyl)propanoic-NHS ester
CAS Number2353409-76-2
PubChem CID137334045
IUPAC Name4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] butanedioate
Molecular FormulaC25H43NO14
Molecular Weight581.6
XLogP-2.2
Topological Polar Surface Area164
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count30
Heavy Atom Count40
Formal Charge0
Complexity676
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C25H43NO14/c1-31-6-7-32-8-9-33-10-11-34-12-13-35-14-15-36-16-17-37-18-19-38-20-21-39-24(29)4-5-25(30)40-26-22(27)2-3-23(26)28/h2-21H2,1H3
InChIKey
GEZGBNKPTJXTNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(m-PEG8-ethoxycarbonyl)propanoic-NHS ester
CAS: 2353409-76-2
CID: 137334045
Formula: C25H43NO14
MW: 581.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.6
XLogP3-2.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count30
Exact Mass581.26835505
Monoisotopic Mass581.26835505
Topological Polar Surface Area164 Ų
Heavy Atom Count40
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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