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Hydroxy-PEG6-CH2-Boc

CAT: 0804-HY-141211-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141211-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hydroxy-PEG6-CH2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
297162-47-1
UNSPSC
12352211
Hazard Statement
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-peg6-ch2-boc.html
Purity
98.97
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)COCCOCCOCCOCCOCCOCCO
Molecular Formula
C18H36O9
Molecular Weight
396.47
Precautions
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-PEG6-CH2CO2tBu
CAS Number297162-47-1
PubChem CID77078234
IUPAC Nametert-butyl 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
Molecular FormulaC18H36O9
Molecular Weight396.5
XLogP-0.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count27
Formal Charge0
Complexity331
SMILES
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C18H36O9/c1-18(2,3)27-17(20)16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-19/h19H,4-16H2,1-3H3
InChIKey
BHPCFQUBUVPQGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG6-CH2CO2tBu
CAS: 297162-47-1
CID: 77078234
Formula: C18H36O9
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass396.23593272
Monoisotopic Mass396.23593272
Topological Polar Surface Area102 Ų
Heavy Atom Count27
Formal Charge0
Complexity331
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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