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Mal-amido-PEG3-C1-PFP ester

CAT: 0804-HY-133574Size: 1 EachDry Ice: NoHazardous: No
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Description
Mal-amido-PEG3-C1-PFP ester is a non-cleavable 3 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
2101206-13-5
UNSPSC
12352203
Hazard Statement
H302
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mal-amido-peg3-c1-pfp-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)COCCOCCOCCNC(CCN2C(C=CC2=O)=O)=O
Molecular Formula
C21H21F5N2O8
Molecular Weight
524.39
Precautions
P264-P270-P330-P501
References & Citations
[1]Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16 (5) :315-337.
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Non-cleavable Linker

Chemical Information

Mal-amido-PEG3-C1-PFP ester
CAS Number2101206-13-5
PubChem CID129896959
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]acetate
Molecular FormulaC21H21F5N2O8
Molecular Weight524.4
XLogP0.3
Topological Polar Surface Area120
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count16
Heavy Atom Count36
Formal Charge0
Complexity770
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C21H21F5N2O8/c22-16-17(23)19(25)21(20(26)18(16)24)36-15(32)11-35-10-9-34-8-7-33-6-4-27-12(29)3-5-28-13(30)1-2-14(28)31/h1-2H,3-11H2,(H,27,29)
InChIKey
ZBIQVRXGRCZPMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amido-PEG3-C1-PFP ester
CAS: 2101206-13-5
CID: 129896959
Formula: C21H21F5N2O8
MW: 524.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.4
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count16
Exact Mass524.12180644
Monoisotopic Mass524.12180644
Topological Polar Surface Area120 Ų
Heavy Atom Count36
Formal Charge0
Complexity770
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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