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Mal-PEG5-mal

CAT: 0931-T18296-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18296-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113387-03-4
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Mal-PEG5-mal is a PEG-based linker for PROTACs, joining two essential ligands crucial for PROTAC molecule formation and enabling selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
O=C1C=CC(=O)N1CCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
Molecular Formula
C20H28N2O9
Molecular Weight
440.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mal-PEG5-mal
CAS Number113387-03-4
PubChem CID19824899
IUPAC Name1-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
Molecular FormulaC20H28N2O9
Molecular Weight440.4
XLogP-2
Topological Polar Surface Area121
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count31
Formal Charge0
Complexity586
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C20H28N2O9/c23-17-1-2-18(24)21(17)5-7-27-9-11-29-13-15-31-16-14-30-12-10-28-8-6-22-19(25)3-4-20(22)26/h1-4H,5-16H2
InChIKey
DDMVLALITLUWEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG5-mal
CAS: 113387-03-4
CID: 19824899
Formula: C20H28N2O9
MW: 440.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.4
XLogP3-2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass440.17948047
Monoisotopic Mass440.17948047
Topological Polar Surface Area121 Ų
Heavy Atom Count31
Formal Charge0
Complexity586
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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HY-133352Mal-PEG5-mal
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