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Bis-acrylate-PEG6

CAT: 0804-HY-W096166-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W096166-01Size:100 mg
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Description
Bis-acrylate-PEG6 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
85136-58-9
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/bis-acrylate-peg6.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
C=CC(OCCOCCOCCOCCOCCOCCOC(C=C)=O)=O
Molecular Formula
C18H30O9
Molecular Weight
390.43
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
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

3,6,9,12,15-Pentaoxaheptadecane-1,17-diyl diacrylate
CAS Number85136-58-9
PubChem CID11058231
IUPAC Name2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
Molecular FormulaC18H30O9
Molecular Weight390.4
XLogP0.4
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count27
Formal Charge0
Complexity362
SMILES
C=CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)C=C
InChI
InChI=1S/C18H30O9/c1-3-17(19)26-15-13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-16-27-18(20)4-2/h3-4H,1-2,5-16H2
InChIKey
DMMSYVRRDYJQSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6,9,12,15-Pentaoxaheptadecane-1,17-diyl diacrylate
CAS: 85136-58-9
CID: 11058231
Formula: C18H30O9
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass390.18898253
Monoisotopic Mass390.18898253
Topological Polar Surface Area98.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity362
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