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Mal-PFP ester

CAT: 0013-GTR19189697Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189697Size:25 mg
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Description
Mal-PFP ester is an alkyl/ether linker used to construct PROTAC molecules by connecting a target-binding ligand to an E3 ligase recruiter. This bifunctional linker is essential for inducing selective protein degradation via the ubiquitin-proteasome system in both cellular and in vivo research contexts.
CAS Number
138194-55-5
Field of Research
Pharmacology & Drug Discovery
Smiles
Fc1c (F) c (F) c (OC (=O) CCN2C (=O) C=CC2=O) c (F) c1F |c:15|
Molecular Formula
C13H6F5NO4
Molecular Weight
335.186
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PFP ester
CAS Number138194-55-5
PubChem CID88897221
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-(2,5-dioxopyrrol-1-yl)propanoate
Molecular FormulaC13H6F5NO4
Molecular Weight335.18
XLogP1.4
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity508
SMILES
C1=CC(=O)N(C1=O)CCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C13H6F5NO4/c14-8-9(15)11(17)13(12(18)10(8)16)23-7(22)3-4-19-5(20)1-2-6(19)21/h1-2H,3-4H2
InChIKey
CPVAMZASRXMNDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PFP ester
CAS: 138194-55-5
CID: 88897221
Formula: C13H6F5NO4
MW: 335.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.18
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass335.02169848
Monoisotopic Mass335.02169848
Topological Polar Surface Area63.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity508
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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Alternative Products

CatalogName
T38798Mal-PFP ester
T15993Mal-PEG4-PFP ester
MBS5769473Mal-PEG5-PFP ester
T15983-01Mal-PEG2-PFP ester
T15988-01Mal-PEG3-PFP ester
HY-130568-01Mal-PEG1-PFP ester
T16002Mal-PEG6-PFP ester
T39534-01Mal-amido-PEG3-C1-PFP ester
HY-179254Mal-L-Dap (Boc, t-BuOAc) -Pfp Ester
T14612-01Biotin-PFP ester

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