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Boc-NH-PEG2-NH-Boc

CAT: 0013-GTR19227412-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227412-01Size:25 mg
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Description
Boc-NH-PEG2-NH-Boc is a bifunctional PEG linker used in constructing PROTAC molecules for targeted protein degradation. It connects a target-binding ligand to an E3 ligase recruiter, enabling the study of protein function in both cellular and in vivo research models via the ubiquitin-proteasome system.
CAS Number
475591-59-4
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CC (C) (C) OC (=O) NCCOCCOCCNC (=O) OC (C) (C) C
Molecular Formula
C16H32N2O6
Molecular Weight
348.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Boc-NH-PEG2-NH-Boc
CAS Number475591-59-4
PubChem CID11473508
IUPAC Nametert-butyl N-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC16H32N2O6
Molecular Weight348.43
XLogP1.3
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity338
SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C16H32N2O6/c1-15(2,3)23-13(19)17-7-9-21-11-12-22-10-8-18-14(20)24-16(4,5)6/h7-12H2,1-6H3,(H,17,19)(H,18,20)
InChIKey
IBOKAWABMPUDFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-NH-PEG2-NH-Boc
CAS: 475591-59-4
CID: 11473508
Formula: C16H32N2O6
MW: 348.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.43
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass348.22603674
Monoisotopic Mass348.22603674
Topological Polar Surface Area95.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity338
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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