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Ms-PEG2-C2-Boc

CAT: 0804-HY-140383-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140383-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ms-PEG2-C2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1312309-62-8
UNSPSC
12352100
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/ms-peg2-c2-boc.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
CS(OCCOCCOCCC(OC(C)(C)C)=O)(=O)=O
Molecular Formula
C12H24O7S
Molecular Weight
312.38
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

Mes-PEG2-acid t-butyl ester
CAS Number1312309-62-8
PubChem CID60146179
IUPAC Nametert-butyl 3-[2-(2-methylsulfonyloxyethoxy)ethoxy]propanoate
Molecular FormulaC12H24O7S
Molecular Weight312.38
XLogP0.2
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count20
Formal Charge0
Complexity364
SMILES
CC(C)(C)OC(=O)CCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C12H24O7S/c1-12(2,3)19-11(13)5-6-16-7-8-17-9-10-18-20(4,14)15/h5-10H2,1-4H3
InChIKey
SXMMBKJCRVIEEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mes-PEG2-acid t-butyl ester
CAS: 1312309-62-8
CID: 60146179
Formula: C12H24O7S
MW: 312.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.38
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass312.12427427
Monoisotopic Mass312.12427427
Topological Polar Surface Area96.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity364
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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