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Mal-PEG1-Boc

CAT: 0013-GTR19226382Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226382Size:5 mg
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Description
Mal-PEG1-Boc is an alkyl/ether 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
810677-16-8
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
CC (C) (C) OC (=O) CCOCCN1C (=O) C=CC1=O
Molecular Formula
C13H19NO5
Molecular Weight
269.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PEG1-t-butyl ester
CAS Number810677-16-8
PubChem CID86276400
IUPAC Nametert-butyl 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate
Molecular FormulaC13H19NO5
Molecular Weight269.29
XLogP0.1
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity376
SMILES
CC(C)(C)OC(=O)CCOCCN1C(=O)C=CC1=O
InChI
InChI=1S/C13H19NO5/c1-13(2,3)19-12(17)6-8-18-9-7-14-10(15)4-5-11(14)16/h4-5H,6-9H2,1-3H3
InChIKey
YFNQRZMVQPRONS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG1-t-butyl ester
CAS: 810677-16-8
CID: 86276400
Formula: C13H19NO5
MW: 269.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.29
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass269.12632271
Monoisotopic Mass269.12632271
Topological Polar Surface Area72.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity376
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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