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Hydroxy-PEG16-Boc

CAT: 0804-HY-130833-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-130833-03Size:1 g
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Description
Hydroxy-PEG16-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2592433-80-0
UNSPSC
12352211
Hazard Statement
H302, H315, H319
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-peg16-boc.html
Solubility
10 mM in DMSO
Smiles
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(OC(C)(C)C)=O
Molecular Formula
C39H78O19
Molecular Weight
851.03
Precautions
H302, H315, H319
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Hydroxy-PEG16-t-butyl ester
CAS Number2592433-80-0
PubChem CID77078319
IUPAC Nametert-butyl 3-[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]propanoate
Molecular FormulaC39H78O19
Molecular Weight851.0
XLogP-2
Topological Polar Surface Area194
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count52
Heavy Atom Count58
Formal Charge0
Complexity793
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C39H78O19/c1-39(2,3)58-38(41)4-6-42-8-10-44-12-14-46-16-18-48-20-22-50-24-26-52-28-30-54-32-34-56-36-37-57-35-33-55-31-29-53-27-25-51-23-21-49-19-17-47-15-13-45-11-9-43-7-5-40/h40H,4-37H2,1-3H3
InChIKey
WXQNBVUETAEZHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG16-t-butyl ester
CAS: 2592433-80-0
CID: 77078319
Formula: C39H78O19
MW: 851.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight851.0
XLogP3-2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count52
Exact Mass850.51373025
Monoisotopic Mass850.51373025
Topological Polar Surface Area194 Ų
Heavy Atom Count58
Formal Charge0
Complexity793
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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