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Boc-NH-PEG24-NH2

CAT: 0804-HY-140236Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140236Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-NH-PEG23-NH2 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
3068905-02-9
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/boc-nh-peg23-nh2.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
Molecular Formula
C53H108N2O25
Molecular Weight
1173.42
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; PEG Linkers

Chemical Information

t-Boc-N-amido-PEG23-Amine
CAS Number3068905-02-9
PubChem CID91757820
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC53H108N2O25
Molecular Weight1173.4
XLogP-3.4
Topological Polar Surface Area277
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count26
Rotatable Bond Count73
Heavy Atom Count80
Formal Charge0
Complexity1160
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C53H108N2O25/c1-53(2,3)80-52(56)55-5-7-58-9-11-60-13-15-62-17-19-64-21-23-66-25-27-68-29-31-70-33-35-72-37-39-74-41-43-76-45-47-78-49-51-79-50-48-77-46-44-75-42-40-73-38-36-71-34-32-69-30-28-67-26-24-65-22-20-63-18-16-61-14-12-59-10-8-57-6-4-54/h4-51,54H2,1-3H3,(H,55,56)
InChIKey
VGRIANYSJNGTAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-amido-PEG23-Amine
CAS: 3068905-02-9
CID: 91757820
Formula: C53H108N2O25
MW: 1173.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1173.4
XLogP3-3.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count26
Rotatable Bond Count73
Exact Mass1172.72411693
Monoisotopic Mass1172.72411693
Topological Polar Surface Area277 Ų
Heavy Atom Count80
Formal Charge0
Complexity1160
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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