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Amino-PEG5-Boc

CAT: 0804-HY-140194-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140194-01Size:100 mg
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Description
Amino-PEG5-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1446282-18-3
UNSPSC
12352211
Hazard Statement
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/amino-peg5-boc.html
Purity
99.65
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCN
Molecular Formula
C17H35NO7
Molecular Weight
365.46
Precautions
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, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Amino-PEG5-t-butyl ester
CAS Number1446282-18-3
PubChem CID77078415
IUPAC Nametert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC17H35NO7
Molecular Weight365.5
XLogP-0.6
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count25
Formal Charge0
Complexity308
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C17H35NO7/c1-17(2,3)25-16(19)4-6-20-8-10-22-12-14-24-15-13-23-11-9-21-7-5-18/h4-15,18H2,1-3H3
InChIKey
XSTIRQZQKAJSIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amino-PEG5-t-butyl ester
CAS: 1446282-18-3
CID: 77078415
Formula: C17H35NO7
MW: 365.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.5
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass365.24135246
Monoisotopic Mass365.24135246
Topological Polar Surface Area98.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity308
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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T14806-01Bromo-PEG5-Boc
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