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Mal-PEG24-NHS ester

CAT: 0013-GTR19225348-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225348-01Size:100 mg
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Description
Mal-PEG24-NHS ester is a heterobifunctional 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
2226733-37-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (ON1C (=O) CCC1=O) CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC (=O) CCN2C (=O) C=CC2=O
Molecular Formula
C62H111N3O31
Molecular Weight
1394.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-amido-PEG24-NHS
CAS Number2226733-37-3
PubChem CID89408683
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC62H111N3O31
Molecular Weight1394.5
XLogP-5.9
Topological Polar Surface Area352
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count31
Rotatable Bond Count80
Heavy Atom Count96
Formal Charge0
Complexity1810
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C62H111N3O31/c66-57(5-8-64-58(67)1-2-59(64)68)63-7-10-73-12-14-75-16-18-77-20-22-79-24-26-81-28-30-83-32-34-85-36-38-87-40-42-89-44-46-91-48-50-93-52-54-95-56-55-94-53-51-92-49-47-90-45-43-88-41-39-86-37-35-84-33-31-82-29-27-80-25-23-78-21-19-76-17-15-74-13-11-72-9-6-62(71)96-65-60(69)3-4-61(65)70/h1-2H,3-56H2,(H,63,66)
InChIKey
GRDUWUCYIIEBIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amido-PEG24-NHS
CAS: 2226733-37-3
CID: 89408683
Formula: C62H111N3O31
MW: 1394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1394.5
XLogP3-5.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count31
Rotatable Bond Count80
Exact Mass1393.7201538
Monoisotopic Mass1393.7201538
Topological Polar Surface Area352 Ų
Heavy Atom Count96
Formal Charge0
Complexity1810
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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