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Propargyl-PEG1-SS-PEG1-PFP ester

CAT: 0804-HY-140110Size: 1 EachDry Ice: NoHazardous: No
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Description
Propargyl-PEG1-SS-PEG1-PFP ester is a cleavable 1 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1]. Propargyl-PEG1-SS-PEG1-PFP ester is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
1817735-30-0
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/propargyl-peg1-ss-peg1-pfp-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)CCOCCSSCCOCC#C
Molecular Formula
C16H15F5O4S2
Molecular Weight
430.41
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-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
Cleavable Linker; Disulfide Cleavable Linker

Chemical Information

Propargyl-PEG1-SS-PEG1-PFP ester
CAS Number1817735-30-0
PubChem CID102514816
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-(2-prop-2-ynoxyethyldisulfanyl)ethoxy]propanoate
Molecular FormulaC16H15F5O4S2
Molecular Weight430.4
XLogP2.6
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count27
Formal Charge0
Complexity477
SMILES
C#CCOCCSSCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C16H15F5O4S2/c1-2-4-23-6-8-26-27-9-7-24-5-3-10(22)25-16-14(20)12(18)11(17)13(19)15(16)21/h1H,3-9H2
InChIKey
BNSPBJFNPGXULZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG1-SS-PEG1-PFP ester
CAS: 1817735-30-0
CID: 102514816
Formula: C16H15F5O4S2
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass430.03319211
Monoisotopic Mass430.03319211
Topological Polar Surface Area95.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity477
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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T16591-01Propargyl-PEG1-SS-PEG1-PFP ester
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T15977-01Mal-PEG1-PFP ester
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