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Boc-N-Amido-PEG5-MS

CAT: 0804-HY-140392Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140392Size:1 Each
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Description
Boc-N-Amido-PEG5-MS is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2128735-28-2
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/boc-n-amido-peg5-ms.html
Solubility
10 mM in DMSO
Smiles
CS(OCCOCCOCCOCCOCCNC(OC(C)(C)C)=O)(=O)=O
Molecular Formula
C16H33NO9S
Molecular Weight
415.50
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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

t-Boc-N-Amido-PEG5-Ms
CAS Number2128735-28-2
PubChem CID129627643
IUPAC Name2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
Molecular FormulaC16H33NO9S
Molecular Weight415.5
XLogP-0.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count27
Formal Charge0
Complexity471
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C16H33NO9S/c1-16(2,3)26-15(18)17-5-6-21-7-8-22-9-10-23-11-12-24-13-14-25-27(4,19)20/h5-14H2,1-4H3,(H,17,18)
InChIKey
XAHYLBKEJWWORN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-Amido-PEG5-Ms
CAS: 2128735-28-2
CID: 129627643
Formula: C16H33NO9S
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass415.18760280
Monoisotopic Mass415.18760280
Topological Polar Surface Area127 Ų
Heavy Atom Count27
Formal Charge0
Complexity471
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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