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Mal-PEG6-PFP ester

CAT: 0013-GTR19226360Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226360Size:2 mg
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Description
Mal-PEG6-PFP ester is a heterobifunctional PEG linker used to construct PROTAC molecules. It conjugates a target-binding ligand to an E3 ligase recruiter, enabling targeted protein degradation via the ubiquitin-proteasome system in both cellular and in vivo research applications.
CAS Number
1599486-33-5
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC=1C (F) =C (F) C (F) =C (F) C1F) CCOCCOCCOCCOCCOCCOCCN2C (=O) C=CC2=O
Molecular Formula
C25H30F5NO10
Molecular Weight
599.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PEG6-PFP
CAS Number1599486-33-5
PubChem CID77078505
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC25H30F5NO10
Molecular Weight599.5
XLogP0.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count23
Heavy Atom Count41
Formal Charge0
Complexity792
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C25H30F5NO10/c26-20-21(27)23(29)25(24(30)22(20)28)41-19(34)3-5-35-7-9-37-11-13-39-15-16-40-14-12-38-10-8-36-6-4-31-17(32)1-2-18(31)33/h1-2H,3-16H2
InChIKey
HDNANNZNASDAGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG6-PFP
CAS: 1599486-33-5
CID: 77078505
Formula: C25H30F5NO10
MW: 599.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.5
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count23
Exact Mass599.17898696
Monoisotopic Mass599.17898696
Topological Polar Surface Area119 Ų
Heavy Atom Count41
Formal Charge0
Complexity792
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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