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Acid-PEG3-SSPy

CAT: 0013-GTR19222310-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222310-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acid-PEG3-SSPy is a heterobifunctional PEG linker used to construct 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 models through the ubiquitin-proteasome system.
CAS Number
2088570-69-6
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
OC (=O) CCOCCOCCOCCSSc1ccccn1
Molecular Formula
C14H21NO5S2
Molecular Weight
347.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acid-PEG3-SSPy
CAS Number2088570-69-6
PubChem CID155896848
IUPAC Name3-[2-[2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC14H21NO5S2
Molecular Weight347.5
XLogP0.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count22
Formal Charge0
Complexity284
SMILES
C1=CC=NC(=C1)SSCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C14H21NO5S2/c16-14(17)4-6-18-7-8-19-9-10-20-11-12-21-22-13-3-1-2-5-15-13/h1-3,5H,4,6-12H2,(H,16,17)
InChIKey
URJLYWQPQZPOIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acid-PEG3-SSPy
CAS: 2088570-69-6
CID: 155896848
Formula: C14H21NO5S2
MW: 347.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.5
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass347.08611512
Monoisotopic Mass347.08611512
Topological Polar Surface Area128 Ų
Heavy Atom Count22
Formal Charge0
Complexity284
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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T39500-01Acid-PEG3-SSPy
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HY-140113-01Acid-PEG3-SS-PEG3-acid
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