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Boc-NH-PEG4-C3-acid

CAT: 0804-HY-140478Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140478Size:1 Each
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Description
Boc-N-amido-PEG4-C3-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1416777-48-4
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-nh-peg4-c3-acid.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NCCOCCOCCOCCOCCCC(O)=O
Molecular Formula
C17H33NO8
Molecular Weight
379.45
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

t-Boc-N-amido-PEG4-(CH2)3CO2H
CAS Number1416777-48-4
PubChem CID77078230
IUPAC Name4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
Molecular FormulaC17H33NO8
Molecular Weight379.4
XLogP0.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count26
Formal Charge0
Complexity370
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCCC(=O)O
InChI
InChI=1S/C17H33NO8/c1-17(2,3)26-16(21)18-6-8-23-10-12-25-14-13-24-11-9-22-7-4-5-15(19)20/h4-14H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
LIAJGFRNCJSOJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-amido-PEG4-(CH2)3CO2H
CAS: 1416777-48-4
CID: 77078230
Formula: C17H33NO8
MW: 379.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight379.4
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass379.22061701
Monoisotopic Mass379.22061701
Topological Polar Surface Area113 Ų
Heavy Atom Count26
Formal Charge0
Complexity370
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