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S-acetyl-PEG4-NHBoc

CAT: 0804-HY-138755Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-138755Size:1 Each
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Description
S-acetyl-PEG4-NHBoc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1404111-70-1
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/s-acetyl-peg4-nhboc.html
Solubility
10 mM in DMSO
Smiles
CC(SCCOCCOCCOCCOCCNC(OC(C)(C)C)=O)=O
Molecular Formula
C17H33NO7S
Molecular Weight
395.51
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27 (8) :998-1010.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

S-acetyl-PEG4-NHBoc
CAS Number1404111-70-1
PubChem CID156597061
IUPAC NameS-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] ethanethioate
Molecular FormulaC17H33NO7S
Molecular Weight395.5
XLogP0.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count26
Formal Charge0
Complexity375
SMILES
CC(=O)SCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C17H33NO7S/c1-15(19)26-14-13-24-12-11-23-10-9-22-8-7-21-6-5-18-16(20)25-17(2,3)4/h5-14H2,1-4H3,(H,18,20)
InChIKey
ICWKORBMGMWYBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-acetyl-PEG4-NHBoc
CAS: 1404111-70-1
CID: 156597061
Formula: C17H33NO7S
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass395.19777357
Monoisotopic Mass395.19777357
Topological Polar Surface Area118 Ų
Heavy Atom Count26
Formal Charge0
Complexity375
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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T38832-01S-acetyl-PEG4-NHBoc
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T211360-01HSP90i-COCH2CH2-PEG4-NHBoc
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