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Lipoamide-PEG3-Mal

CAT: 0013-GTR19226472-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226472-01Size:100 mg
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Description
Lipoamide-PEG3-Mal is a heterobifunctional linker used to construct PROTAC molecules for targeted protein degradation. It connects an E3 ligase ligand to a protein-of-interest ligand, enabling the study of protein function in both cellular and in vivo models through the ubiquitin-proteasome system.
CAS Number
1314378-19-2
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C1C=CC (=O) N1CCC (=O) NCCCOCCOCCOCCCNC (=O) CCCCC2SSCC2
Molecular Formula
C25H41N3O7S2
Molecular Weight
559.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lipoamide-PEG3-Mal
CAS Number1314378-19-2
PubChem CID77078204
IUPAC NameN-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-(dithiolan-3-yl)pentanamide
Molecular FormulaC25H41N3O7S2
Molecular Weight559.7
XLogP0.2
Topological Polar Surface Area174
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count37
Formal Charge0
Complexity721
SMILES
C1CSSC1CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C25H41N3O7S2/c29-22(6-2-1-5-21-10-20-36-37-21)26-11-3-14-33-16-18-35-19-17-34-15-4-12-27-23(30)9-13-28-24(31)7-8-25(28)32/h7-8,21H,1-6,9-20H2,(H,26,29)(H,27,30)
InChIKey
CMMJPHOERVZWAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lipoamide-PEG3-Mal
CAS: 1314378-19-2
CID: 77078204
Formula: C25H41N3O7S2
MW: 559.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.7
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass559.23859300
Monoisotopic Mass559.23859300
Topological Polar Surface Area174 Ų
Heavy Atom Count37
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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