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Propargyl-PEG4-CH2CH2-Boc

CAT: 0804-HY-130293-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130293-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Propargyl-PEG4-CH2CH2-Boc is a non-cleavable ADC linker that can be used to synthesize ADC inhibitors of Galectin-3. Propargyl-PEG4-CH2CH2-Boc is a PEG- and Alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Propargyl-PEG4-CH2CH2-Boc 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
1245823-50-0
UNSPSC
12352203
Hazard Statement
H315-H319
Target
ADC Linker; PROTAC Linkers
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/propargyl-peg4-ch2ch2-boc.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
C#CCOCCOCCOCCOCCOCCC(OC(C)(C)C)=O
Molecular Formula
C18H32O7
Molecular Weight
360.44
Precautions
P264-P280-P302+P352-P362+P364
References & Citations
[1]Zhang H, et al. Thiodigalactoside-Bovine Serum Albumin Conjugates as High-Potency Inhibitors of Galectin-3: An Outstanding Example of Multivalent Presentation of Small Molecule Inhibitors. Bioconjug Chem. 2018 Apr 18;29 (4) :1266-1275.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; Non-cleavable Linker

Chemical Information

propargyl-PEG5-t-butyl ester
CAS Number1245823-50-0
PubChem CID60146212
IUPAC Nametert-butyl 3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC18H32O7
Molecular Weight360.4
XLogP0.4
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count25
Formal Charge0
Complexity367
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C18H32O7/c1-5-7-20-9-11-22-13-15-24-16-14-23-12-10-21-8-6-17(19)25-18(2,3)4/h1H,6-16H2,2-4H3
InChIKey
YPLMNICQRHSVNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of propargyl-PEG5-t-butyl ester
CAS: 1245823-50-0
CID: 60146212
Formula: C18H32O7
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass360.21480336
Monoisotopic Mass360.21480336
Topological Polar Surface Area72.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity367
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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