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Hydroxy-PEG24-Boc

CAT: 0804-HY-130834Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-130834Size:1 Each
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Description
Hydroxy-PEG24-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2490419-62-8
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hydroxy-peg24-boc.html
Solubility
10 mM in DMSO
Smiles
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(OC(C)(C)C)=O
Molecular Formula
C55H110O27
Molecular Weight
1203.45
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Hydroxy-PEG24-t-butyl ester
CAS Number2490419-62-8
PubChem CID51341047
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC55H110O27
Molecular Weight1203.4
XLogP-3.2
Topological Polar Surface Area268
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count27
Rotatable Bond Count76
Heavy Atom Count82
Formal Charge0
Complexity1170
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C55H110O27/c1-55(2,3)82-54(57)4-6-58-8-10-60-12-14-62-16-18-64-20-22-66-24-26-68-28-30-70-32-34-72-36-38-74-40-42-76-44-46-78-48-50-80-52-53-81-51-49-79-47-45-77-43-41-75-39-37-73-35-33-71-31-29-69-27-25-67-23-21-65-19-17-63-15-13-61-11-9-59-7-5-56/h56H,4-53H2,1-3H3
InChIKey
YMILISGQCISYOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG24-t-butyl ester
CAS: 2490419-62-8
CID: 51341047
Formula: C55H110O27
MW: 1203.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1203.4
XLogP3-3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count27
Rotatable Bond Count76
Exact Mass1202.72344823
Monoisotopic Mass1202.72344823
Topological Polar Surface Area268 Ų
Heavy Atom Count82
Formal Charge0
Complexity1170
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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