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SPDP-PEG4-acid

CAT: 0013-GTR19226160Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226160Size:5 mg
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Description
SPDP-PEG4-acid 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 animal models through the ubiquitin-proteasome system.
CAS Number
581065-97-6
Field of Research
Pharmacology & Drug Discovery
Smiles
OC (=O) CCOCCOCCOCCOCCNC (=O) CCSSc1ccccn1
Molecular Formula
C19H30N2O7S2
Molecular Weight
462.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SPDP-PEG4-acid
CAS Number581065-97-6
PubChem CID51341021
IUPAC Name3-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC19H30N2O7S2
Molecular Weight462.6
XLogP-0.1
Topological Polar Surface Area167
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Heavy Atom Count30
Formal Charge0
Complexity447
SMILES
C1=CC=NC(=C1)SSCCC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C19H30N2O7S2/c22-17(5-16-29-30-18-3-1-2-6-21-18)20-7-9-26-11-13-28-15-14-27-12-10-25-8-4-19(23)24/h1-3,6H,4-5,7-16H2,(H,20,22)(H,23,24)
InChIKey
IJDPYTZOKIVWAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SPDP-PEG4-acid
CAS: 581065-97-6
CID: 51341021
Formula: C19H30N2O7S2
MW: 462.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Exact Mass462.14944365
Monoisotopic Mass462.14944365
Topological Polar Surface Area167 Ų
Heavy Atom Count30
Formal Charge0
Complexity447
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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