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Bis-PEG2-Boc

CAT: 0804-HY-138504Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-138504Size:1 Each
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Description
Bis-PEG2-Boc is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1611468-28-0
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-peg2-boc.html
Solubility
10 mM in DMSO
Smiles
O=C(CCOCCOCCC(OC(C)(C)C)=O)OC(C)(C)C
Molecular Formula
C16H30O6
Molecular Weight
318.41
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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

Chemical Information

Bis-PEG2-t-butyl ester
CAS Number1611468-28-0
PubChem CID77078175
IUPAC Nametert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propanoate
Molecular FormulaC16H30O6
Molecular Weight318.41
XLogP1.5
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count22
Formal Charge0
Complexity304
SMILES
CC(C)(C)OC(=O)CCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C16H30O6/c1-15(2,3)21-13(17)7-9-19-11-12-20-10-8-14(18)22-16(4,5)6/h7-12H2,1-6H3
InChIKey
ALKAASHAFVQEJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG2-t-butyl ester
CAS: 1611468-28-0
CID: 77078175
Formula: C16H30O6
MW: 318.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.41
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass318.20423867
Monoisotopic Mass318.20423867
Topological Polar Surface Area71.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity304
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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