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Boc-NH-PEG4-C2-Boc

CAT: 0804-HY-138370-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138370-01Size:25 mg
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Description
Boc-NH-PEG4-C2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2138484-13-4
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-c2-boc.html
Purity
98.74
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCNC(OC(C)(C)C)=O
Molecular Formula
C20H39NO8
Molecular Weight
421.53
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

Boc-NH-PEG4-C2-Boc
CAS Number2138484-13-4
PubChem CID131999711
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC20H39NO8
Molecular Weight421.5
XLogP1.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count29
Formal Charge0
Complexity443
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C20H39NO8/c1-19(2,3)28-17(22)7-9-24-11-13-26-15-16-27-14-12-25-10-8-21-18(23)29-20(4,5)6/h7-16H2,1-6H3,(H,21,23)
InChIKey
HOBFRUPMGLPRSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-NH-PEG4-C2-Boc
CAS: 2138484-13-4
CID: 131999711
Formula: C20H39NO8
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass421.26756720
Monoisotopic Mass421.26756720
Topological Polar Surface Area102 Ų
Heavy Atom Count29
Formal Charge0
Complexity443
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