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N-Boc-PEG12-alcohol

CAT: 0804-HY-141193-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141193-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N-Boc-PEG12-alcohol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2218463-36-4
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/n-boc-peg12-alcohol.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)OC(C)(C)C
Molecular Formula
C29H59NO14
Molecular Weight
645.78
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

N-Boc-PEG12-alcohol
CAS Number2218463-36-4
PubChem CID51340991
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC29H59NO14
Molecular Weight645.8
XLogP-1.4
Topological Polar Surface Area160
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Heavy Atom Count44
Formal Charge0
Complexity583
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C29H59NO14/c1-29(2,3)44-28(32)30-4-6-33-8-10-35-12-14-37-16-18-39-20-22-41-24-26-43-27-25-42-23-21-40-19-17-38-15-13-36-11-9-34-7-5-31/h31H,4-27H2,1-3H3,(H,30,32)
InChIKey
PSQUYAYPIOHNGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Boc-PEG12-alcohol
CAS: 2218463-36-4
CID: 51340991
Formula: C29H59NO14
MW: 645.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight645.8
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Exact Mass645.39355556
Monoisotopic Mass645.39355556
Topological Polar Surface Area160 Ų
Heavy Atom Count44
Formal Charge0
Complexity583
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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