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Ald-Ph-amido-PEG3-C2-Pfp ester

CAT: 0804-HY-130102-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130102-01Size:25 mg
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Description
Ald-Ph-amido-PEG3-C2-Pfp ester is an noncleavable ADC linker, which belongs to a polyethylene glycol (PEG) linker.
CAS Number
2101206-21-5
UNSPSC
12352203
Hazard Statement
H302-H315-H319-H335
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/ald-phe-amido-peg3-c2-pfp-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)CCOCCOCCOCCNC(C2=CC=C(C=O)C=C2)=O
Molecular Formula
C23H22F5NO7
Molecular Weight
519.42
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Non-cleavable Linker

Chemical Information

Ald-Ph-amido-PEG3-C2-Pfp ester
CAS Number2101206-21-5
PubChem CID129896968
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC23H22F5NO7
Molecular Weight519.4
XLogP2.1
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count36
Formal Charge0
Complexity667
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C23H22F5NO7/c24-17-18(25)20(27)22(21(28)19(17)26)36-16(31)5-7-33-9-11-35-12-10-34-8-6-29-23(32)15-3-1-14(13-30)2-4-15/h1-4,13H,5-12H2,(H,29,32)
InChIKey
UZFBSFAFSYFMJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ald-Ph-amido-PEG3-C2-Pfp ester
CAS: 2101206-21-5
CID: 129896968
Formula: C23H22F5NO7
MW: 519.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass519.13164285
Monoisotopic Mass519.13164285
Topological Polar Surface Area100 Ų
Heavy Atom Count36
Formal Charge0
Complexity667
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
T17385-01Ald-Ph-amido-PEG3-C2-Pfp ester
MBS5770256Ald-Ph-amido-PEG2-C2-Pfp ester
GTR19226034-01Ald-Ph-amido-PEG1-C2-Pfp ester
MBS5799995Ald-Ph-amido-PEG3-NHS ester
MBS133211Ald-Ph-amido-PEG1-C2-NHS ester
T14172-01Ald-Ph-amido-PEG2-C2-NHS ester
T14165-01Ald-Ph-amido-PEG4-C2-NHS ester
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