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Hydroxy-PEG12-Boc

CAT: 0804-HY-130831-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130831-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hydroxy-PEG12-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2388521-20-6
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-peg12-boc.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Molecular Formula
C31H62O15
Molecular Weight
674.81
Precautions
H302, H315, H319, H335
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-PEG12-t-butyl ester
CAS Number2388521-20-6
PubChem CID16211131
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC31H62O15
Molecular Weight674.8
XLogP-1.4
Topological Polar Surface Area157
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count40
Heavy Atom Count46
Formal Charge0
Complexity607
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C31H62O15/c1-31(2,3)46-30(33)4-6-34-8-10-36-12-14-38-16-18-40-20-22-42-24-26-44-28-29-45-27-25-43-23-21-41-19-17-39-15-13-37-11-9-35-7-5-32/h32H,4-29H2,1-3H3
InChIKey
UOOVFHUCPREVAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG12-t-butyl ester
CAS: 2388521-20-6
CID: 16211131
Formula: C31H62O15
MW: 674.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight674.8
XLogP3-1.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count40
Exact Mass674.40887127
Monoisotopic Mass674.40887127
Topological Polar Surface Area157 Ų
Heavy Atom Count46
Formal Charge0
Complexity607
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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T207964-01CHO-PEG12-Boc
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