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Benzyl-PEG2-CH2COOH

CAT: 0804-HY-135339-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135339-01Size:100 mg
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Description
Benzyl-PEG2-CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
91842-53-4
UNSPSC
12352005
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/benzyl-peg2-ch2cooh.html
Purity
95.0
Solubility
10 mM in DMSO
Smiles
O=C(O)COCCOCCOCC1=CC=CC=C1
Molecular Formula
C13H18O5
Molecular Weight
254.28
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

10-Phenyl-3,6,9-trioxadecanoic acid
CAS Number91842-53-4
PubChem CID10131252
IUPAC Name2-[2-(2-phenylmethoxyethoxy)ethoxy]acetic acid
Molecular FormulaC13H18O5
Molecular Weight254.28
XLogP0.9
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count18
Formal Charge0
Complexity213
SMILES
C1=CC=C(C=C1)COCCOCCOCC(=O)O
InChI
InChI=1S/C13H18O5/c14-13(15)11-18-9-7-16-6-8-17-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,14,15)
InChIKey
JCPUGBBSZRZZNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-Phenyl-3,6,9-trioxadecanoic acid
CAS: 91842-53-4
CID: 10131252
Formula: C13H18O5
MW: 254.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.28
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass254.11542367
Monoisotopic Mass254.11542367
Topological Polar Surface Area65 Ų
Heavy Atom Count18
Formal Charge0
Complexity213
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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